TCM-ID Component

Description of the Component

Component ID	TCMH2725
Latin Name	Fructus perillae
English Name	Perilia fruit
Chinese Pinyin Name	Zi Su Zi
中文名	紫苏子
TCM Properties
TCM Meridians
Therapeutic Class English	For desolving phlegm, stopping cougth, and soothing breathing
Therapeutic Class Chinese	化痰止咳平喘
Functions	relieve dyspnea and cough, eliminate phlegm , and relax bowels
Toxicity	NA
Geo-authentic habitats (道地产区)	Jiangsu Province,Shanghai
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3175	Bai Ke Jing Syrup	百咳静糖浆
TCMFx499	Bai Ke Jing Syrup	百咳静糖浆
TCMF2757	Combined Poria Decoction and Pinellia and Magnolia Bark Decoction	茯苓饮合半夏厚朴汤
TCMF3536	Ding Chuan Liao Fei Pills	定喘疗肺丸
TCMFx7019	Er Tong Qing Fei Oral Liquid	儿童清肺口服液
TCMFx3926	Er Tong Qing Fei Pills	儿童清肺丸
TCMFx3332	Fu Fang Chuan Bei Zhi Ke Syrup	复方川贝止咳糖浆
TCMFx3670	Fu Fang Li Ointment	复方梨膏
TCMF2897	Fu Ling Yin He Ban Xia Hou Pu Decoction	茯苓饮合半夏厚朴汤
TCMFx7091	Gan Mao Jie Du Ling Granules	感冒解毒灵颗粒
TCMFx3995	Ge Jie Ding Chuan Pills	蛤蚧定喘丸
TCMF4004	Ge Jie Yang Fei Pills	蛤蚧养肺丸
TCMFx1040	Ge Jie Ding Chuan Capsule	蛤蚧定喘胶囊
TCMF2832	Hua Gai Powder	华盖散
TCMFx365	Hua Zheng Hui Sheng Tablet	化症回生片
TCMF4588	Ji Su Pills	鸡苏丸
TCMFx4719	Jia Wei Gan Mao Pills	加味感冒丸
TCMFx6987	Jian Fei Pills	健肺丸
TCMFx4460	Jiang Qi Ding Chuan Pills	降气定喘丸
TCMFx4759	Jie Ji Qing Fei Pills	解肌清肺丸
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	京制咳嗽痰喘丸
TCMF4709	Ju Bei Ban Xia Infusion	橘贝半夏冲剂
TCMFx4751	Ju Hong Pi Pa Tablets	橘红枇杷片
TCMFx1174	Ju Hong Capsule	橘红胶囊
TCMFx1176	Ju Hong Granules	橘红颗粒
TCMFx1172	Ju Hong Tablet	橘红片
TCMFx6879	Ke Chuan An Oral Liquid	咳喘安口服液
TCMFx4286	Ke Chuan Pills	咳喘丸
TCMFx4263	Ke Chuan Shu Tablets	咳喘舒片
TCMF4271	Ke Chuan Shun Pills	咳喘顺丸
TCMFx4278	Ke Chuan Ting Ointment	咳喘停膏
TCMF743	Ke Chuan Shun Pills	咳喘顺丸
TCMF4860	Li Qi Ding Chuan Pills	理气定喘丸
TCMF4829	Lu Si Ka Pills	鹭鸶咯丸
TCMF2360	Ma Xin Two Plus Three Heavy Breathing Decoction	麻杏二三汤
TCMF4922	Ning Sou Hua Tan Pills	宁嗽化痰丸
TCMFx4938	Ning Sou Pills	宁嗽丸
TCMF4925	Qi Guan Yan Pills	气管炎丸
TCMFx4933	Qi Guan Yan Xiang Jiao Ointment	气管炎橡胶膏
TCMFx5016	Qian Jin Zhi Ke Pills	千金止咳丸
TCMFx5196	Qing Fei Zhi Ke Pills	清肺止咳丸
TCMFx5252	Qing Hou Li Yan Granules	清喉利咽颗粒
TCMFx69	Qing Hou Li Yan Granules	清喉利咽颗粒
TCMF5297	Quan Zhou Bai Cao Qu	泉州百草曲
TCMF5775	Run Fei Zhi Sou Pills	润肺止嗽丸
TCMF960	Run Fei Zhi Sou Pills	润肺止嗽丸
TCMFx5789	Shun Qi Xiao Shi Hua Tan Pills	顺气消食化痰丸
TCMF5048	Su Zi Jiang Qi Pills	苏子降气丸
TCMF1122	Tan Yin Pills	痰饮丸
TCMF5291	Tan Yin Pills	痰饮丸
TCMFx5651	Xi Gua Ointment	西瓜膏
TCMF6556	Xiao Er Bai Ri Ke Powder	小儿百日咳散
TCMF6633	Xiao Er Fei Bi Ning Tablets	小儿肺闭宁片
TCMFx6029	Xiao Er Jiu Sou Pills	小儿久嗽丸
TCMFx6055	Xiao Er Ke Chuan Infusion	小儿咳喘冲剂
TCMFx6081	Xiao Er Ke Chuan Ning Syrup	小儿咳喘宁糖浆
TCMFx6119	Xiao Er Ma Gan Infusion	小儿麻甘冲剂
TCMFx6234	Xiao Er Qing Fei Hua Tan Granules	小儿清肺化痰颗粒
TCMFx6241	Xiao Er Qing Fei Hua Tan Oral Liquid	小儿清肺化痰口服液
TCMFx275	Xiao Er Qing Fei Hua Tan Oral Liquid	小儿清肺化痰口服液
TCMF6256	Xiao Er Qing Fei Pills	小儿清肺丸
TCMFx274	Xiao Er Qing Fei Zhi Ke Tablet	小儿清肺止咳片
TCMFx6318	Xiao Er Qing Re Zhi Ke Pills	小儿清热止咳丸
TCMF6534	Xiao Er Zhi Sou Jin Dan	小儿止嗽金丹
TCMF6541	Xiao Er Zhi Sou Jin Pills	小儿止嗽金丸
TCMF6558	Xiao Er Zhi Sou Pills	小儿止嗽丸
TCMFx6549	Xiao Er Zhi Sou Syrup	小儿止嗽糖浆
TCMFx235	Xiao Er Zhi Sou Syrup	小儿止嗽糖浆
TCMFx6583	Xiao Er Zhi Xiao Ling Tablets	小儿治哮灵片
TCMFx248	Xiao Er Ke Chuan Granules	小儿咳喘颗粒
TCMFx6258	Xiao Shi Hua Tan Pills	消食化痰丸
TCMFx6204	Ying Er Bao Fei Ning	婴儿保肺宁
TCMFx6211	Ying Er Bao Fei Ning Capsules	婴儿保肺宁胶囊
TCMFx6833	Zhang Zhou Shen Qu	漳州神曲
TCMFx6455	Zhi Ke Ding Chuan Pills	止咳定喘丸
TCMFx6482	Zhi Ke Ju Hong Pills	止咳橘红丸
TCMF6546	Zhi Ke Pills	止咳丸
TCMF6049	Zhi Ke Tablets	治咳片
TCMFx6585	Zhi Sou Ke Chuan Ning Syrup	止嗽咳喘宁糖浆
TCMFx6611	Zhi Sou Qing Guo Pills	止嗽青果丸
TCMF6604	Zhi Sou Qing Guo Tablets	止嗽青果片
TCMF6615	Zhi Sou Sao Tan Pills	止嗽扫痰丸
TCMFx317	Zhi Ke Ju Hong Oral Liquid	止咳橘红口服液
TCMFx318	Zhi Ke Ju Hong Pills	止咳橘红丸

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT187	AR	Androgen Receptor	Nuclear receptor	P10275
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1246	Escherichia coli
TCMT1251	Candida albicans
TCMT1253	Penicillium chrysogenum
TCMT1454	Bacillus subtilis
TCMT1462	Streptococcus mutans

Ingredient Structrues

Ingredient ID: TCMC6971
Formula: C15H24O

Common Name	cis-Z-alpha-Bisabolene epoxide
IUPAC Name	(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane
Canonical SMILES	CC(=CC[C@@H]1O[C@]1(C)C1CCC(=CC1)C)C
Standard InCHI	InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m0/s1
Standard InCHIKey	PBNXUEQZNAEDOI-NOYMGPGASA-N
External Identifiers	ChEMBL [N/A]; PubChem [91753574];
Reference of Component-Ingredient Pair	20388294

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6884
Formula: C10H16

Common Name	3-methyl-6-(1-methylethylidene)-cyclohexene
IUPAC Name	(3S)-3-methyl-6-propan-2-ylidenecyclohexene
Canonical SMILES	C[C@H]1CCC(=C(C)C)C=C1
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m1/s1
Standard InCHIKey	CIPXOBMYVWRNLL-SECBINFHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [71385764];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6660
Formula: C13H24NO10P

Common Name	tryptophane
IUPAC Name	(2R)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Canonical SMILES	CCCC(=O)O[C@@H](COP(=O)(OC[C@H](C(=O)[O-])[NH3+])[O-])COC(=O)CC
Standard InCHI	InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/p-1/t9-,10-/m1/s1
Standard InCHIKey	UNJJBGNPUUVVFQ-NXEZZACHSA-M
External Identifiers	ChEMBL [N/A]; PubChem [44147587];
Reference of Component-Ingredient Pair	15078327

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6542
Formula: C7H14O

Common Name	(3R)-2,2-dimethyl-3-propyloxirane
IUPAC Name	(3R)-2,2-dimethyl-3-propyloxirane
Canonical SMILES	CCC[C@H]1OC1(C)C
Standard InCHI	InChI=1S/C7H14O/c1-4-5-6-7(2,3)8-6/h6H,4-5H2,1-3H3/t6-/m1/s1
Standard InCHIKey	ZWMFGIJPJXEKCV-ZCFIWIBFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21720138];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6260
Formula: C15H24

Common Name	Α-Guriunene
IUPAC Name	(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene
Canonical SMILES	C[C@@H]1CC[C@@H]2[C@H](C3=C(CC[C@H]13)C)C2(C)C
Standard InCHI	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1
Standard InCHIKey	SPCXZDDGSGTVAW-XIDUGBJDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15560276];
Reference of Component-Ingredient Pair	24271813

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH118	Angelica dahurica	Bai Zhi	白芷
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6244
Formula: C15H24

Common Name	58870_FLUKA
IUPAC Name	(1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene
Canonical SMILES	C[C@@H]1CC[C@@H]2[C@H](C3=C1CC[C@H]3C)C2(C)C
Standard InCHI	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-10,12,14H,5-8H2,1-4H3/t9-,10-,12-,14-/m1/s1
Standard InCHIKey	NUQDPKOFUKFKFD-BGOOENEXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15431199];
Reference of Component-Ingredient Pair	23758650

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6076
Formula: C17H32O2

Common Name	methyl (Z)-hexadec-7-enoate
IUPAC Name	methyl (Z)-hexadec-7-enoate
Canonical SMILES	CCCCCCCC/C=CCCCCCC(=O)OC
Standard InCHI	InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10-
Standard InCHIKey	FXCDESKKWMGGON-KHPPLWFESA-N
External Identifiers	ChEMBL [N/A]; PubChem [14029831];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC6037
Formula: C15H24

Common Name	(1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene
IUPAC Name	(1R,5R,6S)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
Canonical SMILES	CC(=CCC[C@@]1(C)[C@@H]2CC=C([C@H]1C2)C)C
Standard InCHI	InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m1/s1
Standard InCHIKey	YMBFCQPIMVLNIU-KFWWJZLASA-N
External Identifiers	ChEMBL [N/A]; PubChem [13889654];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5970
Formula: C30H52O

Common Name	cycloartanol
IUPAC Name	(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Canonical SMILES	CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C)C
Standard InCHI	InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
Standard InCHIKey	YABASAWVVRQMEU-YBXTVTTCSA-N
External Identifiers	ChEMBL [CHEMBL225763]; PubChem [12760132];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5885
Formula: C15H24

Common Name	Copaene
IUPAC Name	(1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
Canonical SMILES	CC([C@@H]1CC[C@@]2([C@@H]3[C@H]1[C@H]2C(=CC3)C)C)C
Standard InCHI	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
Standard InCHIKey	VLXDPFLIRFYIME-BTFPBAQTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12303902];
Reference of Component-Ingredient Pair	22555293

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH517	Angelica pubescens	Du Huo	独活
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1681	Artemisia carvifolia	Qing Hao	青蒿
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5858
Formula: C15H24

Common Name	(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinylcyclohexene
IUPAC Name	(3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene
Canonical SMILES	C=C[C@@]1(C)CCC(=C[C@H]1C(=C)C)C(C)C
Standard InCHI	InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15-/m0/s1
Standard InCHIKey	MXDMETWAEGIFOE-GJZGRUSLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12004383];
Reference of Component-Ingredient Pair	22978235

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5588
Formula: C15H24

Common Name	Aromadendrene
IUPAC Name	(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Canonical SMILES	C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CCC2=C
Standard InCHI	InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1
Standard InCHIKey	ITYNGVSTWVVPIC-XVIXHAIJSA-N
External Identifiers	ChEMBL [CHEMBL2269083]; PubChem [11095734];
Reference of Component-Ingredient Pair	23379981

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5402
Formula: C10H21NO8P

Common Name	lecithin
IUPAC Name	2-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
Canonical SMILES	O=COC(COP(=O)(OCC[N+](C)(C)C)[O-])COC=O
Standard InCHI	InChI=1S/C10H20NO8P/c1-11(2,3)4-5-18-20(14,15)19-7-10(17-9-13)6-16-8-12/h8-10H,4-7H2,1-3H3
Standard InCHIKey	RBAWEGYJSDPEHX-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10425706];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5223
Formula: C16H14N4

Common Name	(E)-(4-methylbenzylidene)-(4-phenyltriazol-1-yl)amine
IUPAC Name	(E)-1-(4-methylphenyl)-N-(4-phenyltriazol-1-yl)methanimine
Canonical SMILES	Cc1ccc(cc1)/C=N/n1nnc(c1)c1ccccc1
Standard InCHI	InChI=1S/C16H14N4/c1-13-7-9-14(10-8-13)11-17-20-12-16(18-19-20)15-5-3-2-4-6-15/h2-12H,1H3/b17-11+
Standard InCHIKey	HGKZMFCXZIIEEU-GZTJUZNOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [9602469];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5212
Formula: C30H50O

Common Name	citrostadienol
IUPAC Name	(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	C/C=C(C(C)C)/CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C
Standard InCHI	InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1
Standard InCHIKey	LPZCCMIISIBREI-JXMPMKKESA-N
External Identifiers	ChEMBL [CHEMBL3184315]; PubChem [9548595];
Reference of Component-Ingredient Pair	12226510

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5195
Formula: C12H20O2

Common Name	[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate
IUPAC Name	[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate
Canonical SMILES	C=C[C@@](OC(=O)C)(CCC=C(C)C)C
Standard InCHI	InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m1/s1
Standard InCHIKey	UWKAYLJWKGQEPM-GFCCVEGCSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6999980];
Reference of Component-Ingredient Pair	18834605

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5193
Formula: C8H16O

Common Name	(1S,2S)-2-ethylcyclohexan-1-ol
IUPAC Name	(1S,2S)-2-ethylcyclohexan-1-ol
Canonical SMILES	CC[C@H]1CCCC[C@@H]1O
Standard InCHI	InChI=1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
Standard InCHIKey	CFYUBZHJDXXXQE-YUMQZZPRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6994303];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5157
Formula: C20H34O2

Common Name	(2E,4E,6E)-icosa-2,4,6-trienoic acid
IUPAC Name	(2E,4E,6E)-icosa-2,4,6-trienoic acid
Canonical SMILES	CCCCCCCCCCCCC/C=C/C=C/C=C/C(=O)[O-]
Standard InCHI	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H,21,22)/p-1/b15-14+,17-16+,19-18+
Standard InCHIKey	BBWMTEYXFFWPIF-CJBMEHDJSA-M
External Identifiers	ChEMBL [N/A]; PubChem [6506063];
Reference of Component-Ingredient Pair	24993153

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5085
Formula: C15H24

Common Name	(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
IUPAC Name	(1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Canonical SMILES	CC1=C[C@H]2[C@@H](CC1)C(=C)CC[C@@H]2C(C)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m1/s1
Standard InCHIKey	WRHGORWNJGOVQY-QLFBSQMISA-N
External Identifiers	ChEMBL [N/A]; PubChem [6432308];
Reference of Component-Ingredient Pair	23678822

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5078
Formula: C15H24

Common Name	(-)-cis-.beta.-Elemene
IUPAC Name	(1S,2R,4S)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Canonical SMILES	C=C[C@]1(C)CC[C@@H](C[C@@H]1C(=C)C)C(=C)C
Standard InCHI	InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15+/m0/s1
Standard InCHIKey	OPFTUNCRGUEPRZ-RRFJBIMHSA-N
External Identifiers	ChEMBL [CHEMBL479707]; PubChem [6431151];
Reference of Component-Ingredient Pair	22843880

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC5066
Formula: C18H26O4

Common Name	Phthalic acid, butyl isohexyl ester
IUPAC Name	1-O-butyl 2-O-(4-methylpentyl) benzene-1,2-dicarboxylate
Canonical SMILES	CCCCOC(=O)c1ccccc1C(=O)OCCCC(C)C
Standard InCHI	InChI=1S/C18H26O4/c1-4-5-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-8-9-14(2)3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
Standard InCHIKey	MTYBJKMGPVGKGM-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6423865];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4963
Formula: C8H14O2

Common Name	methyl hept-2-enoate
IUPAC Name	methyl (E)-hept-2-enoate
Canonical SMILES	CCCC/C=C/C(=O)OC
Standard InCHI	InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+
Standard InCHIKey	IQQDLHGWGKEQDS-VOTSOKGWSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5368087];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4960
Formula: C25H42

Common Name	2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene
IUPAC Name	(6E,10E,14E,18E)-2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene
Canonical SMILES	C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C
Standard InCHI	InChI=1S/C25H42/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3/h8,13,16-17,20H,9-12,14-15,18-19H2,1-7H3/b22-8+,23-17+,24-16+,25-20+
Standard InCHIKey	IMXDCJPVYKXJPD-FMOJUEAUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5366013];
Reference of Component-Ingredient Pair	28714318

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4958
Formula: C11H18O2

Common Name	Methyl Geranate
IUPAC Name	methyl (2E)-3,7-dimethylocta-2,6-dienoate
Canonical SMILES	COC(=O)/C=C(/CCC=C(C)C)C
Standard InCHI	InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+
Standard InCHIKey	ACOBBFVLNKYODD-CSKARUKUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5365910];
Reference of Component-Ingredient Pair	29032491

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4957
Formula: C23H46

Common Name	Muscamone
IUPAC Name	(Z)-tricos-9-ene
Canonical SMILES	CCCCCCCCCCCCC/C=CCCCCCCCC
Standard InCHI	InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
Standard InCHIKey	IGOWHGRNPLFNDJ-ZPHPHTNESA-N
External Identifiers	ChEMBL [CHEMBL1894305]; PubChem [5365075];
Reference of Component-Ingredient Pair	27065593

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4954
Formula: C19H36O2

Common Name	Methyl Oleate
IUPAC Name	methyl (Z)-octadec-9-enoate
Canonical SMILES	CCCCCCCC/C=CCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
Standard InCHIKey	QYDYPVFESGNLHU-KHPPLWFESA-N
External Identifiers	ChEMBL [CHEMBL465725]; PubChem [5364509];
Reference of Component-Ingredient Pair	25688289

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4948
Formula: C13H24O2

Common Name	methyl (E)-dodec-9-enoate
IUPAC Name	methyl (E)-dodec-9-enoate
Canonical SMILES	CC/C=C/CCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3/b5-4+
Standard InCHIKey	DUWQEMMRMJGHSA-SNAWJCMRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5362755];
Reference of Component-Ingredient Pair	29926331

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4580
Formula: C15H24

Common Name	Germacrene D
IUPAC Name	(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
Canonical SMILES	C/C/1=CCCC(=C)/C=C/[C@@H](CC1)C(C)C
Standard InCHI	InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
Standard InCHIKey	GAIBLDCXCZKKJE-RXJOXMPGSA-N
External Identifiers	ChEMBL [CHEMBL105432]; PubChem [5317570];
Reference of Component-Ingredient Pair	22117190

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4410
Formula: C29H48O

Common Name	24-methylidenelophenol
IUPAC Name	(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	C=C(C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C
Standard InCHI	InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1
Standard InCHIKey	RSMKYRDCCSNYFM-AAGDOFLISA-N
External Identifiers	ChEMBL [N/A]; PubChem [5283640];
Reference of Component-Ingredient Pair	15078327

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4399
Formula: C20H38O2

Common Name	gondoic acid
IUPAC Name	(Z)-icos-11-enoic acid
Canonical SMILES	CCCCCCCC/C=CCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/p-1/b10-9-
Standard InCHIKey	BITHHVVYSMSWAG-KTKRTIGZSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5282768];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4398
Formula: C19H36O2

Common Name	2-nonadecenoic acid
IUPAC Name	(E)-nonadec-2-enoic acid
Canonical SMILES	CCCCCCCCCCCCCCCC/C=C/C(=O)[O-]
Standard InCHI	InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/p-1/b18-17+
Standard InCHIKey	INKQLYSQWHBEGS-ISLYRVAYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5282766];
Reference of Component-Ingredient Pair	27417723

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4339
Formula: C15H26O

Common Name	E-Nerolidol
IUPAC Name	(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Canonical SMILES	C=C[C@](CC/C=C(/CCC=C(C)C)C)(O)C
Standard InCHI	InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1
Standard InCHIKey	FQTLCLSUCSAZDY-ATGUSINASA-N
External Identifiers	ChEMBL [CHEMBL1923157]; PubChem [5281525];
Reference of Component-Ingredient Pair	22101399

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4337
Formula: C15H24

Common Name	(E,E)-Α-Farnesene,3,7,11-Trimethyldodeca-1,3,6,10-Tetraene,Farnesene,Α-Farnesene
IUPAC Name	(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Canonical SMILES	C=C/C(=C/C/C=C(/CCC=C(C)C)C)/C
Standard InCHI	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
Standard InCHIKey	CXENHBSYCFFKJS-VDQVFBMKSA-N
External Identifiers	ChEMBL [CHEMBL3182226]; PubChem [5281516];
Reference of Component-Ingredient Pair	20044567

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4336
Formula: C15H24

Common Name	(1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene
IUPAC Name	(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Canonical SMILES	C/C/1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C
Standard InCHI	InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
Standard InCHIKey	NPNUFJAVOOONJE-GFUGXAQUSA-N
External Identifiers	ChEMBL [CHEMBL445740]; PubChem [5281515];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH224	Thuja orientalis	Ce Bai Ye	侧柏叶
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH144	Herba artemisiae anomalae	Bei Liu Ji Nu	北刘寄奴
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH512	Fructus amomi rotundus	Dou Kou	豆蔻
TCMH33	Illicium verum	Ba Jiao Hui Xiang	八角茴香
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH183	Dryobalanops aromatica	Bing Pian	冰片
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1437	Rhododendron dauricum	Man Shan Hong	满山红
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1681	Artemisia carvifolia	Qing Hao	青蒿
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参

Ingredient ID: TCMC4325
Formula: C29H48O

Common Name	Α-Spinasterol
IUPAC Name	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	JZVFJDZBLUFKCA-FXIAWGAOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5281331];
Reference of Component-Ingredient Pair	25757602

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH705	Trichosanthes kirilowii	Gua Lou	瓜蒌
TCMH1080	Platycodon grandiflorum	Jie Geng	桔梗
TCMH1588	Achyranthes bidentata	Niu Xi	牛膝
TCMH2016	Retinervus luffae fructus	Si Gua Luo	丝瓜络
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4168
Formula: C10H14O

Common Name	()-Perillaaldehyde
IUPAC Name	(4R)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
Canonical SMILES	O=CC1=CC[C@@H](CC1)C(=C)C
Standard InCHI	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m0/s1
Standard InCHIKey	RUMOYJJNUMEFDD-JTQLQIEISA-N
External Identifiers	ChEMBL [N/A]; PubChem [1548901];
Reference of Component-Ingredient Pair	19226127

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4165
Formula: C10H18O

Common Name	()-Isopulegol
IUPAC Name	(1S,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
Canonical SMILES	C[C@H]1CC[C@@H]([C@H](C1)O)C(=C)C
Standard InCHI	InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
Standard InCHIKey	ZYTMANIQRDEHIO-AEJSXWLSSA-N
External Identifiers	ChEMBL [N/A]; PubChem [1268090];
Reference of Component-Ingredient Pair	30062512

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4134
Formula: C17H32O2

Common Name	METHYL PALMITOLEATE
IUPAC Name	methyl (Z)-hexadec-9-enoate
Canonical SMILES	CCCCCC/C=CCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
Standard InCHIKey	IZFGRAGOVZCUFB-HJWRWDBZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [643801];
Reference of Component-Ingredient Pair	20541177

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4069
Formula: C10H16O

Common Name	Bicyclo[3.1.1]Hept-2-Ene-2-Methanol, 6,6-Dimethyl,Myrtenol
IUPAC Name	[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Canonical SMILES	OCC1=CC[C@@H]2C[C@H]1C2(C)C
Standard InCHI	InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1
Standard InCHIKey	RXBQNMWIQKOSCS-RKDXNWHRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [636475];
Reference of Component-Ingredient Pair	16959031

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4042
Formula: C10H8O2

Common Name	Benzylidenemalonaldehyde
IUPAC Name	2-benzylidenepropanedial
Canonical SMILES	O=CC(=Cc1ccccc1)C=O
Standard InCHI	InChI=1S/C10H8O2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-8H
Standard InCHIKey	XMXUYXIFVYQLKJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [583063];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4041
Formula: C10H16

Common Name	1,5,5-trimethyl-6-methylenecyclohexene
IUPAC Name	1,5,5-trimethyl-6-methylidenecyclohexene
Canonical SMILES	CC1=CCCC(C1=C)(C)C
Standard InCHI	InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h6H,2,5,7H2,1,3-4H3
Standard InCHIKey	FMXKKHBXBBAQBC-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [578237];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4039
Formula: C12H20

Common Name	1,4-diethyl-1,4-dimethyl-2,5-cyclohexadiene
IUPAC Name	3,6-diethyl-3,6-dimethylcyclohexa-1,4-diene
Canonical SMILES	CCC1(C)C=CC(C=C1)(C)CC
Standard InCHI	InChI=1S/C12H20/c1-5-11(3)7-9-12(4,6-2)10-8-11/h7-10H,5-6H2,1-4H3
Standard InCHIKey	JTZDQRQJYHFOLP-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [572347];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4027
Formula: C14H24O2

Common Name	5-Methyl-2-phenylindole
IUPAC Name	methyl tridec-12-ynoate
Canonical SMILES	C#CCCCCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h1H,4-13H2,2H3
Standard InCHIKey	LLYUQTVONAGBRD-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [554090];
Reference of Component-Ingredient Pair	15470701

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4019
Formula: C4H9NOS2

Common Name	O-propyl aminosulfanylmethanethioate
IUPAC Name	O-propyl aminosulfanylmethanethioate
Canonical SMILES	CCCOC(=S)SN
Standard InCHI	InChI=1S/C4H9NOS2/c1-2-3-6-4(7)8-5/h2-3,5H2,1H3
Standard InCHIKey	JUKUHBMHFZORKU-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [536887];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC4017
Formula: C9H14

Common Name	2,5-dimethyl-3-methylenehexa-1,5-diene
IUPAC Name	2,5-dimethyl-3-methylidenehexa-1,5-diene
Canonical SMILES	CC(=C)CC(=C)C(=C)C
Standard InCHI	InChI=1S/C9H14/c1-7(2)6-9(5)8(3)4/h1,3,5-6H2,2,4H3
Standard InCHIKey	MMKJXJXYQZCQPL-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [535055];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3997
Formula: C12H26

Common Name	3,6-dimethyldecane
IUPAC Name	3,6-dimethyldecane
Canonical SMILES	CCCCC(CCC(CC)C)C
Standard InCHI	InChI=1S/C12H26/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3
Standard InCHIKey	NQWFSCYWTXQNGG-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [519395];
Reference of Component-Ingredient Pair	22835687

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3827
Formula: C15H24

Common Name	Δ-Cadinol,Δ-Cadinene
IUPAC Name	(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
Canonical SMILES	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
Standard InCHIKey	FUCYIEXQVQJBKY-ZFWWWQNUSA-N
External Identifiers	ChEMBL [CHEMBL445759]; PubChem [441005];
Reference of Component-Ingredient Pair	22799105

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH512	Fructus amomi rotundus	Dou Kou	豆蔻
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2238	Siegesbeckiae herba	Xi Xian Cao	豨莶草
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子

Ingredient ID: TCMC3824
Formula: C10H16

Common Name	(-)-Nopinene,(1S,5S)-6,6-Dimethyl-2-Methylenebicyclo[3.1.1]Heptane,Β-Pinene
IUPAC Name	(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
Canonical SMILES	C=C1CC[C@H]2C[C@@H]1C2(C)C
Standard InCHI	InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
Standard InCHIKey	WTARULDDTDQWMU-IUCAKERBSA-N
External Identifiers	ChEMBL [CHEMBL3184774]; PubChem [440967];
Reference of Component-Ingredient Pair	23449869

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3777
Formula: C15H13N

Common Name	2-(4-Methylphenyl)indolizine
IUPAC Name	2-(4-methylphenyl)indolizine
Canonical SMILES	Cc1ccc(cc1)c1cc2n(c1)cccc2
Standard InCHI	InChI=1S/C15H13N/c1-12-5-7-13(8-6-12)14-10-15-4-2-3-9-16(15)11-14/h2-11H,1H3
Standard InCHIKey	DCLHWYSXBSMRRM-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [346948];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3652
Formula: C28H48O

Common Name	Campesterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@H](C(C)C)C)C)C)C1)C
Standard InCHI	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
Standard InCHIKey	SGNBVLSWZMBQTH-PODYLUTMSA-N
External Identifiers	ChEMBL [CHEMBL520535]; PubChem [173183];
Reference of Component-Ingredient Pair	23017420

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH90	Imperata cylindrica	Bai Mao Gen	白茅根
TCMH449	Cortex lycii radicis	Di Gu Pi	地骨皮
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶

Ingredient ID: TCMC3393
Formula: C10H20O

Common Name	Citronellol
IUPAC Name	(3R)-3,7-dimethyloct-6-en-1-ol
Canonical SMILES	OCC[C@@H](CCC=C(C)C)C
Standard InCHI	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
Standard InCHIKey	QMVPMAAFGQKVCJ-SNVBAGLBSA-N
External Identifiers	ChEMBL [CHEMBL1907993]; PubChem [101977];
Reference of Component-Ingredient Pair	22945026

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子

Ingredient ID: TCMC3296
Formula: C15H24

Common Name	Α-Cubebene
IUPAC Name	4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
Canonical SMILES	CC(C1CCC(C23C1C2C(=CC3)C)C)C
Standard InCHI	InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3
Standard InCHIKey	XUEHVOLRMXNRKQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [86609];
Reference of Component-Ingredient Pair	21121273

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3285
Formula: C15H13N

Common Name	5-Methyl-2-phenylindole
IUPAC Name	5-methyl-2-phenyl-1H-indole
Canonical SMILES	Cc1ccc2c(c1)cc([nH]2)c1ccccc1
Standard InCHI	InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3
Standard InCHIKey	JPFTUUXPCFNLIX-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [83247];
Reference of Component-Ingredient Pair	29998033

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3280
Formula: C5H9ClO2

Common Name	Propyl chloroacetate
IUPAC Name	propyl 2-chloroacetate
Canonical SMILES	CCCOC(=O)CCl
Standard InCHI	InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
Standard InCHIKey	QJZNRCWAXUGABH-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [79378];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3268
Formula: CH2Cl2O2S

Common Name	Chloromesyl chloride
IUPAC Name	chloromethanesulfonyl chloride
Canonical SMILES	ClCS(=O)(=O)Cl
Standard InCHI	InChI=1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2
Standard InCHIKey	KQDDQXNVESLJNO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [77054];
Reference of Component-Ingredient Pair	27774980

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3261
Formula: C10H18O3

Common Name	Methyl 9-oxononanoate
IUPAC Name	methyl 9-oxononanoate
Canonical SMILES	O=CCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3
Standard InCHIKey	JMLYDLZRFNYHHO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [74732];
Reference of Component-Ingredient Pair	20593759

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3229
Formula: C3H9OP

Common Name	Trimethylphosphine oxide
IUPAC Name	dimethylphosphorylmethane
Canonical SMILES	CP(=O)(C)C
Standard InCHI	InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
Standard InCHIKey	LRMLWYXJORUTBG-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [69609];
Reference of Component-Ingredient Pair	22742432

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3207
Formula: C30H50O

Common Name	Obtusifoliol
IUPAC Name	(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C)C)C
Standard InCHI	InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
Standard InCHIKey	MMNYKQIDRZNIKT-VSADUBDNSA-N
External Identifiers	ChEMBL [CHEMBL481434]; PubChem [65252];
Reference of Component-Ingredient Pair	11437378

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3202
Formula: C15H24

Common Name	Β-Bourbonene
IUPAC Name	(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane
Canonical SMILES	CC([C@@H]1CC[C@@]2([C@H]1[C@H]1C(=C)CC[C@@H]21)C)C
Standard InCHI	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1
Standard InCHIKey	YIRAHEODBQONHI-ZQNQSHIBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [62566];
Reference of Component-Ingredient Pair	21941911

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3167
Formula: C9H18O

Common Name	Nonaldehyde,Nonanal,Nonaylaldehyde
IUPAC Name	nonanal
Canonical SMILES	CCCCCCCCC=O
Standard InCHI	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
Standard InCHIKey	GYHFUZHODSMOHU-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2228376]; PubChem [31289];
Reference of Component-Ingredient Pair	22925715

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH216	Fructus tsaoko	Cao Guo	草果
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	罗布麻叶
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3166
Formula: C15H30O2

Common Name	Methyl Myristate
IUPAC Name	methyl tetradecanoate
Canonical SMILES	CCCCCCCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
Standard InCHIKey	ZAZKJZBWRNNLDS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL207549]; PubChem [31284];
Reference of Component-Ingredient Pair	20234969

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3146
Formula: C17H23NO2

Common Name	linalyl anthranilate
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
Canonical SMILES	C=CC(OC(=O)c1ccccc1N)(CCC=C(C)C)C
Standard InCHI	InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3
Standard InCHIKey	WHIJSULEEDNKPD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3185660]; PubChem [23535];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3145
Formula: C16H32O2

Common Name	Methyl Pentadecanoate
IUPAC Name	methyl pentadecanoate
Canonical SMILES	CCCCCCCCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
Standard InCHIKey	XIUXKAZJZFLLDQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1900809]; PubChem [23518];
Reference of Component-Ingredient Pair	22254108

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3134
Formula: C15H30O2

Common Name	Methyl isomyristate
IUPAC Name	methyl 12-methyltridecanoate
Canonical SMILES	COC(=O)CCCCCCCCCCC(C)C
Standard InCHI	InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
Standard InCHIKey	FLESKWMKPOBWDE-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21204];
Reference of Component-Ingredient Pair	14623450

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3114
Formula: C21H42O2

Common Name	Heneicosanoic Acid
IUPAC Name	henicosanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)/p-1
Standard InCHIKey	CKDDRHZIAZRDBW-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL1172909]; PubChem [16898];
Reference of Component-Ingredient Pair	22174787

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1768	Panax notoginseng	San Qi	三七
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香

Ingredient ID: TCMC3107
Formula: C11H20O4

Common Name	Dimethyl Azelate
IUPAC Name	dimethyl nonanedioate
Canonical SMILES	COC(=O)CCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
Standard InCHIKey	DRUKNYVQGHETPO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3188858]; PubChem [15612];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3106
Formula: C10H18O4

Common Name	DIMETHYL SUBERATE
IUPAC Name	dimethyl octanedioate
Canonical SMILES	COC(=O)CCCCCCC(=O)OC
Standard InCHI	InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
Standard InCHIKey	LNLCRJXCNQABMV-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15611];
Reference of Component-Ingredient Pair	15884831

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3105
Formula: C10H20O2

Common Name	Methyl nonylate
IUPAC Name	methyl nonanoate
Canonical SMILES	CCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
Standard InCHIKey	IJXHLVMUNBOGRR-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15606];
Reference of Component-Ingredient Pair	21885054

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3103
Formula: C3H6Cl2O2S

Common Name	3-Chloropropylsulfonyl chloride
IUPAC Name	3-chloropropane-1-sulfonyl chloride
Canonical SMILES	ClCCCS(=O)(=O)Cl
Standard InCHI	InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2
Standard InCHIKey	GPKDGVXBXQTHRY-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15410];
Reference of Component-Ingredient Pair	27406140

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3102
Formula: C17H36

Common Name	2-METHYLHEXADECANE
IUPAC Name	2-methylhexadecane
Canonical SMILES	CCCCCCCCCCCCCCC(C)C
Standard InCHI	InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3
Standard InCHIKey	FNWWOHKUXFTKGN-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15266];
Reference of Component-Ingredient Pair	17269334

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3092
Formula: C11H24

Common Name	UND
IUPAC Name	undecane
Canonical SMILES	CCCCCCCCCCC
Standard InCHI	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Standard InCHIKey	RSJKGSCJYJTIGS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL132474]; PubChem [14257];
Reference of Component-Ingredient Pair	26820058

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3076
Formula: C19H38O2

Common Name	Nonadecylic acid
IUPAC Name	nonadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)/p-1
Standard InCHIKey	ISYWECDDZWTKFF-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL1169674]; PubChem [12591];
Reference of Component-Ingredient Pair	22829652

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3059
Formula: C16H32

Common Name	1-Hexadecene
IUPAC Name	hexadec-1-ene
Canonical SMILES	CCCCCCCCCCCCCCC=C
Standard InCHI	InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
Standard InCHIKey	GQEZCXVZFLOKMC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3182381]; PubChem [12395];
Reference of Component-Ingredient Pair	22291692

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3056
Formula: C13H28

Common Name	N-Tridecane
IUPAC Name	tridecane
Canonical SMILES	CCCCCCCCCCCCC
Standard InCHI	InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
Standard InCHIKey	IIYFAKIEWZDVMP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL135694]; PubChem [12388];
Reference of Component-Ingredient Pair	22210557

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH1245	Stellera chamaejasme	Lang Du	狼毒
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3044
Formula: C18H38

Common Name	N-Octadecane
IUPAC Name	octadecane
Canonical SMILES	CCCCCCCCCCCCCCCCCC
Standard InCHI	InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
Standard InCHIKey	RZJRJXONCZWCBN-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11635];
Reference of Component-Ingredient Pair	22840226

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC3041
Formula: C7H16

Common Name	ISOHEPTANE
IUPAC Name	2-methylhexane
Canonical SMILES	CCCCC(C)C
Standard InCHI	InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
Standard InCHIKey	GXDHCNNESPLIKD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1797267]; PubChem [11582];
Reference of Component-Ingredient Pair	26160521

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3024
Formula: C4H7ClO2

Common Name	Chloroethyl acetate
IUPAC Name	2-chloroethyl acetate
Canonical SMILES	CC(=O)OCCCl
Standard InCHI	InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3
Standard InCHIKey	VIRWKAJWTKAIMA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL296237]; PubChem [10959];
Reference of Component-Ingredient Pair	20004098

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC3006
Formula: C17H34O2

Common Name	Daturic Acid,Heptadecanoic Acid,Margaric Acid
IUPAC Name	heptadecanoic acid
Canonical SMILES	CCCCCCCCCCCCCCCCC(=O)[O-]
Standard InCHI	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1
Standard InCHIKey	KEMQGTRYUADPNZ-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL1172910]; PubChem [10465];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH797	Sargassum	Hai Zao	海藻
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参

Ingredient ID: TCMC2971
Formula: C2H3Cl3O

Common Name	WLN: Q1XGGG
IUPAC Name	2,2,2-trichloroethanol
Canonical SMILES	OCC(Cl)(Cl)Cl
Standard InCHI	InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
Standard InCHIKey	KPWDGTGXUYRARH-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1171]; PubChem [8259];
Reference of Component-Ingredient Pair	24923549

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2969
Formula: C20H42

Common Name	Eicosane
IUPAC Name	icosane
Canonical SMILES	CCCCCCCCCCCCCCCCCCCC
Standard InCHI	InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
Standard InCHIKey	CBFCDTFDPHXCNY-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [8222];
Reference of Component-Ingredient Pair	22901681

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC2956
Formula: C9H18O2

Common Name	Methyl Caprylate
IUPAC Name	methyl octanoate
Canonical SMILES	CCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
Standard InCHIKey	JGHZJRVDZXSNKQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3183908]; PubChem [8091];
Reference of Component-Ingredient Pair	22277184

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2952
Formula: C11H22O2

Common Name	Methyl caprate
IUPAC Name	methyl decanoate
Canonical SMILES	CCCCCCCCCC(=O)OC
Standard InCHI	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
Standard InCHIKey	YRHYCMZPEVDGFQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2137647]; PubChem [8050];
Reference of Component-Ingredient Pair	21818287

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2949
Formula: C6H13N

Common Name	HAI
IUPAC Name	cyclohexanamine
Canonical SMILES	[NH3+]C1CCCCC1
Standard InCHI	InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
Standard InCHIKey	PAFZNILMFXTMIY-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL1794762]; PubChem [7965];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2947
Formula: C7H16

Common Name	2,4-Dimethylpentane
IUPAC Name	2,4-dimethylpentane
Canonical SMILES	CC(CC(C)C)C
Standard InCHI	InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
Standard InCHIKey	BZHMBWZPUJHVEE-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [7907];
Reference of Component-Ingredient Pair	21708510

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2944
Formula: C7H14O2

Common Name	Methyl hexoate
IUPAC Name	methyl hexanoate
Canonical SMILES	CCCCCC(=O)OC
Standard InCHI	InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
Standard InCHIKey	NUKZAGXMHTUAFE-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [7824];
Reference of Component-Ingredient Pair	22590283

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2935
Formula: C9H10O2

Common Name	Methyl Phenylacetate
IUPAC Name	methyl 2-phenylacetate
Canonical SMILES	COC(=O)Cc1ccccc1
Standard InCHI	InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Standard InCHIKey	CRZQGDNQQAALAY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3189123]; PubChem [7559];
Reference of Component-Ingredient Pair	22880620

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2926
Formula: C7H7ClO2S

Common Name	1-chloro-4-mesyl-benzene
IUPAC Name	1-chloro-4-methylsulfonylbenzene
Canonical SMILES	Clc1ccc(cc1)S(=O)(=O)C
Standard InCHI	InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
Standard InCHIKey	LMCOQDVJBWVNNI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1863623]; PubChem [7395];
Reference of Component-Ingredient Pair	15470701

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2899
Formula: C2H2Cl4

Common Name	Cellon
IUPAC Name	1,1,2,2-tetrachloroethane
Canonical SMILES	ClC(C(Cl)Cl)Cl
Standard InCHI	InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
Standard InCHIKey	QPFMBZIOSGYJDE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL47258]; PubChem [6591];
Reference of Component-Ingredient Pair	23098194

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子

Ingredient ID: TCMC2890
Formula: C6H12O

Common Name	Butylethylene Ether,Hexanal
IUPAC Name	hexanal
Canonical SMILES	CCCCCC=O
Standard InCHI	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
Standard InCHIKey	JARKCYVAAOWBJS-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL280331]; PubChem [6184];
Reference of Component-Ingredient Pair	28947239

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC1860
Formula: C10H14O

Common Name	Perillaldehyde
IUPAC Name	4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
Canonical SMILES	O=CC1=CCC(CC1)C(=C)C
Standard InCHI	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
Standard InCHIKey	RUMOYJJNUMEFDD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL469537]; PubChem [16441];
Reference of Component-Ingredient Pair	22489157

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH2723	Oleum folii perillae	Zi Su Ye You	紫苏叶油
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH2047	Fructus perillae	Su Zi	苏子
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗

Ingredient ID: TCMC1159
Formula: C10H12O2

Common Name	Eugenol
IUPAC Name	2-methoxy-4-prop-2-enylphenol
Canonical SMILES	C=CCc1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
Standard InCHIKey	RRAFCDWBNXTKKO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL42710]; PubChem [3314];
Reference of Component-Ingredient Pair	29191726

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2039	Caulis perillae frutescentis	Su Geng	苏梗
TCMH2130	Rumex obtusifolius	Tu Da Huang	土大黄
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH1514	Fructus caryophylli	Mu Ding Xiang	母丁香
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	丁香罗勒油
TCMH2725	Fructus perillae	Zi Su Zi	紫苏子
TCMH750	Cinnamomum japonicum	Gui Pi	桂皮
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH492	Folium caryophylli	Ding Xiang Ye	丁香叶
TCMH2072	Rhodomyrtus tomentosa	Tao Jin Niang Gen	桃金娘根
TCMH1374	Ocimum basilicum	Luo Le	罗勒
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH493	Oleum caryophylli	Ding Xiang You	丁香油
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH2077	Prunus persica	Tao Zhi	桃枝
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH1609	Eupatorium fortunei	Pei Lan	佩兰
TCMH2505	Siphonostegia chinensis	Yin Xing Cao	阴行草
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH2283	Cinnamomum parthenoxylum	Xiang Zhang	香樟
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH860	Fructus galangae	Hong Dou Kou	红豆蔻
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1551	Asarum forbesii	Nan Xi Xin	南细辛
TCMH2589	Cinnamomum camphora	Zhang Shu Zi	樟树子
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH303	Andrographis herba	Chuan Xin Lian Ye	穿心莲叶
TCMH1277	Alpinia officinarum	Liang Jiang	良姜
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH559	Psidium guajava	Fan Shi Liu Ye	番石榴叶
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH2320	Magnolia liliflora	Xin Yi Ren	辛夷仁
TCMH961	Artemisia scoparia	Huang Hao	黄蒿
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1706	Dianthus superbus	Qu Mai	瞿麦
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH1970	Pericarpium zanthoxyli	Shu Jiao	蜀椒
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH892	Hericium erinaceus	Hou Tou Jun	猴头菌
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH2553	Scrophularia ningpoensis	Yuan Shen	元参
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH668	Rhodomyrtus tomentosa	Gang Ren Zi	岗稔子
TCMH2071	Prunus persica	Tao	桃
TCMH2073	Prunus persica	Tao Ren	桃仁
TCMH2074	Prunus persica	Tao Ren Shuang	桃仁霜
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH516	Asarum forbesii	Du Heng	杜衡
TCMH1158	Ocimum basilicum	Jiu Ceng Ta	九层塔
TCMH1290	Ocimum basilicum	Ling Ling Xiang	零陵香
TCMH2047	Fructus perillae	Su Zi	苏子
TCMH75	Bombyx mori	Bai Jiang Can	白僵蚕
TCMH197	Bombyx mori	Can E	蚕蛾
TCMH200	Bombyx mori	Can Jian	蚕茧
TCMH201	Bombyx mori	Can Sha	蚕砂
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH672	Alpinia officinarum	Gao Liang Jiang	高良姜
TCMH673	Alpinia officinarum	Gao Liang Jiang You	高良姜油
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH2316	Magnolia liliflora	Xin Yi	辛夷
TCMH2317	Magnolia liliflora	Xin Yi Hua	辛夷花
TCMH2319	Magnolia liliflora	Xin Yi Hua Jin Gao Fen	辛夷花浸膏粉
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH2584	Cinnamomum camphora	Zhang Mu	樟木
TCMH2585	Cinnamomum camphora	Zhang Nao	樟脑
TCMH2587	Cinnamomum camphora	Zhang Nao Zi	樟脑子
TCMH2588	Cinnamomum camphora	Zhang Shu Gen	樟树根
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁
TCMH1507	Commiphora myrrha	Mo Xiang	没香
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1159	C10H12O2	Eugenol	164.08	0.5166	2.34	2.484	0	1	29.46	5	1	12	0
TCMC1860	C10H14O	Perillaldehyde	150.1	1.308	2.45	2.355	1	0	17.07	3	1	11	0
TCMC2890	C6H12O	Butylethylene Ether,Hexanal	100.088815	-0.9703	2.01	2.294	1	0	17.07	4	0	7	0
TCMC2899	C2H2Cl4	Cellon	165.8910608	2.3992	1.24	2.576	0	0	0	1	0	6	0
TCMC2926	C7H7ClO2S	1-chloro-4-mesyl-benzene	189.9855281	0.4214	1.79	2.038	2	0	42.52	1	1	11	0
TCMC2935	C9H10O2	Methyl Phenylacetate	150.0680796	0.046	2.23	3.401	2	0	26.3	3	1	11	0
TCMC2944	C7H14O2	Methyl hexoate	130.0993797	-0.7667	2.01	2.201	2	0	26.3	5	0	9	0
TCMC2947	C7H16	2,4-Dimethylpentane	100.1252005	1.2082	2.23	4.201	0	0	0	2	0	7	0
TCMC2949	C6H13N	HAI	100.1126244	-2.9343	2.01	1.796	0	1	27.64	0	1	7	0
TCMC2952	C11H22O2	Methyl caprate	186.1619799	-1.9187	2.45	4.477	2	0	26.3	9	0	13	0
TCMC2956	C9H18O2	Methyl Caprylate	158.1306798	-1.3427	2.23	3.339	2	0	26.3	7	0	11	0
TCMC2969	C20H42	Eicosane	282.3286513	-5.0814	3.66	11.72	0	0	0	17	0	20	2
TCMC2971	C2H3Cl3O	WLN: Q1XGGG	147.9249478	1.2395	1.24	1.337	1	1	20.23	1	0	6	0
TCMC3006	C17H34O2	Daturic Acid,Heptadecanoic Acid,Margaric Acid	269.2480553	-4.8635	3.11	7.658	2	0	40.13	15	0	19	2
TCMC3024	C4H7ClO2	Chloroethyl acetate	122.0134571	0.6863	1.57	1.006	2	0	26.3	3	0	7	0
TCMC3041	C7H16	ISOHEPTANE	100.1252005	0.3038	2.23	4.262	0	0	0	3	0	7	0
TCMC3044	C18H38	N-Octadecane	254.2973512	-4.5054	3.44	10.582	0	0	0	15	0	18	2
TCMC3056	C13H28	N-Tridecane	184.2191009	-3.0654	2.89	7.737	0	0	0	10	0	13	1
TCMC3059	C16H32	1-Hexadecene	224.250401	-2.4416	3.22	9.078	0	0	0	13	0	16	2
TCMC3076	C19H38O2	Nonadecylic acid	297.2793554	-5.4395	3.33	8.796	2	0	40.13	17	0	21	2
TCMC3092	C11H24	UND	156.1878008	-2.4894	2.67	6.599	0	0	0	8	0	11	1
TCMC3102	C17H36	2-METHYLHEXADECANE	240.2817012	-2.5762	3.33	9.952	0	0	0	13	0	17	2
TCMC3103	C3H6Cl2O2S	3-Chloropropylsulfonyl chloride	175.9465558	0.5399	1.24	1.132	2	0	42.52	3	0	8	0
TCMC3105	C10H20O2	Methyl nonylate	172.1463299	-1.6307	2.34	3.908	2	0	26.3	8	0	12	0
TCMC3106	C10H18O4	DIMETHYL SUBERATE	202.1205091	-1.06	2.12	1.786	4	0	52.6	9	0	14	0
TCMC3107	C11H20O4	Dimethyl Azelate	216.1361591	-1.348	2.23	2.355	4	0	52.6	10	0	15	0
TCMC3114	C21H42O2	Heneicosanoic Acid	325.3106556	-6.0155	3.55	9.934	2	0	40.13	19	0	23	2
TCMC3134	C15H30O2	Methyl isomyristate	242.2245802	-1.4295	2.89	6.692	2	0	26.3	12	0	17	2
TCMC3145	C16H32O2	Methyl Pentadecanoate	256.2402303	-3.3587	3	7.322	2	0	26.3	14	0	18	2
TCMC3146	C17H23NO2	linalyl anthranilate	273.172879	2.0885	3	4.931	3	1	52.32	7	1	20	0
TCMC3166	C15H30O2	Methyl Myristate	242.2245802	-3.0707	2.89	6.753	2	0	26.3	13	0	17	2
TCMC3167	C9H18O	Nonaldehyde,Nonanal,Nonaylaldehyde	142.1357652	-1.8343	2.34	4.001	1	0	17.07	7	0	10	0
TCMC3202	C15H24	Β-Bourbonene	204.1878008	1.3908	3.11	6.544	0	0	0	1	3	15	1
TCMC3207	C30H50O	Obtusifoliol	426.3861662	2.5187	4.65	10.259	1	1	20.23	5	4	31	1
TCMC3229	C3H9OP	Trimethylphosphine oxide	92.03910154	-0.3238	1.57	0.738	1	0	26.88	0	0	5	0
TCMC3261	C10H18O3	Methyl 9-oxononanoate	186.1255944	-1.5516	2.23	2.448	3	0	43.37	9	0	13	0
TCMC3268	CH2Cl2O2S	Chloromesyl chloride	147.9152557	0.5996	1.02	0.416	2	0	42.52	1	0	6	0
TCMC3280	C5H9ClO2	Propyl chloroacetate	136.0291072	0.2263	1.68	1.259	2	0	26.3	4	0	8	0
TCMC3285	C15H13N	5-Methyl-2-phenylindole	207.1047994	0.2216	3	5.755	1	1	15.79	1	3	16	1
TCMC3296	C15H24	Α-Cubebene	204.1878008	1.6446	3.11	6.499	0	0	0	1	3	15	1
TCMC3393	C10H20O	Citronellol	156.1514153	1.4641	2.45	3.286	1	1	20.23	5	0	11	0
TCMC3652	C28H48O	Campesterol	400.3705162	1.9762	4.43	11.026	1	1	20.23	5	4	29	1
TCMC3777	C15H13N	2-(4-Methylphenyl)indolizine	207.1047994	0.6552	3	5.803	1	0	4.41	1	3	16	1
TCMC3824	C10H16	(-)-Nopinene,(1S,5S)-6,6-Dimethyl-2-Methylenebicyclo[3.1.1]Heptane,Β-Pinene	136.1252005	1.3695	2.56	4.222	0	0	0	0	1	10	0
TCMC3827	C15H24	Δ-Cadinol,Δ-Cadinene	204.1878008	2.2115	3.11	5.46	0	0	0	1	2	15	1
TCMC3997	C12H26	3,6-dimethyldecane	170.2034508	0.2722	2.78	7.046	0	0	0	7	0	12	1
TCMC4017	C9H14	2,5-dimethyl-3-methylenehexa-1,5-diene	122.1095504	3.2759	2.45	3.658	0	0	0	3	0	9	0
TCMC4019	C4H9NOS2	O-propyl aminosulfanylmethanethioate	151.0125559	1.0964	1.46	0.727	2	1	92.64	4	0	8	0
TCMC4027	C14H24O2	5-Methyl-2-phenylindole	224.17763	-1.4307	2.78	5.049	2	0	26.3	11	0	16	2
TCMC4039	C12H20	1,4-diethyl-1,4-dimethyl-2,5-cyclohexadiene	164.1565006	2.0938	2.78	6.59	0	0	0	2	1	12	1
TCMC4041	C10H16	1,5,5-trimethyl-6-methylenecyclohexene	136.1252005	2.6583	2.56	4.199	0	0	0	0	1	10	0
TCMC4042	C10H8O2	Benzylidenemalonaldehyde	160.0524295	-0.1126	2.34	4.179	2	0	34.14	3	1	12	0
TCMC4069	C10H16O	Bicyclo[3.1.1]Hept-2-Ene-2-Methanol, 6,6-Dimethyl,Myrtenol	152.1201151	0.4255	2.45	2.296	1	1	20.23	1	1	11	0
TCMC4134	C17H32O2	METHYL PALMITOLEATE	268.2402303	-1.5157	3.11	7.375	2	0	26.3	14	0	19	2
TCMC4165	C10H18O	()-Isopulegol	154.1357652	1.2373	2.45	2.395	1	1	20.23	1	1	11	0
TCMC4168	C10H14O	()-Perillaaldehyde	150.1044651	1.308	2.45	2.355	1	0	17.07	2	1	11	0
TCMC4325	C29H48O	Α-Spinasterol	412.3705162	1.2566	4.54	11.261	1	1	20.23	5	4	30	1
TCMC4336	C15H24	(1R,9S)-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]Undec-4-Ene,Caryophellene,Β-Caryophyllene	204.1878008	3.2289	3.11	6.044	0	0	0	0	2	15	1
TCMC4337	C15H24	(E,E)-Α-Farnesene,3,7,11-Trimethyldodeca-1,3,6,10-Tetraene,Farnesene,Α-Farnesene	204.1878008	4.4725	3.11	6.136	0	0	0	6	0	15	1
TCMC4339	C15H26O	E-Nerolidol	222.1983655	3.7014	3	4.29	1	1	20.23	7	0	16	0
TCMC4398	C19H36O2	2-nonadecenoic acid	295.2637054	-4.2816	3.33	8.685	2	0	40.13	16	0	21	2
TCMC4399	C20H38O2	gondoic acid	309.2793554	-3.5965	3.44	8.849	2	0	40.13	17	0	22	2
TCMC4410	C29H48O	24-methylidenelophenol	412.3705162	2.3111	4.54	10.592	1	1	20.23	5	4	30	1
TCMC4580	C15H24	Germacrene D	204.1878008	2.7967	3.11	6.294	0	0	0	1	1	15	1
TCMC4948	C13H24O2	methyl (E)-dodec-9-enoate	212.17763	-0.9073	2.67	5.099	2	0	26.3	10	0	15	1
TCMC4954	C19H36O2	Methyl Oleate	296.2715304	-2.0917	3.33	8.513	2	0	26.3	16	0	21	2
TCMC4957	C23H46	Muscamone	322.3599515	-3.8144	3.99	12.911	0	0	0	19	0	23	2
TCMC4958	C11H18O2	Methyl Geranate	182.1306798	2.6929	2.45	2.941	2	0	26.3	5	0	13	0
TCMC4960	C25H42	2,6,10,14,18-pentamethylicosa-2,6,10,14,18-pentaene	342.3286513	6.9245	4.21	9.66	0	0	0	12	0	25	2
TCMC4963	C8H14O2	methyl hept-2-enoate	142.0993797	0.1032	2.12	2.659	2	0	26.3	5	0	10	0
TCMC5066	C18H26O4	Phthalic acid, butyl isohexyl ester	306.1831093	-0.1432	3	6.111	4	0	52.6	11	1	22	2
TCMC5078	C15H24	(-)-cis-.beta.-Elemene	204.1878008	3.2309	3.11	6.071	0	0	0	3	1	15	1
TCMC5085	C15H24	(1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene	204.1878008	2.2603	3.11	5.942	0	0	0	1	2	15	1
TCMC5157	C20H34O2	(2E,4E,6E)-icosa-2,4,6-trienoic acid	305.2480553	-2.482	3.44	8.366	2	0	40.13	15	0	22	2
TCMC5193	C8H16O	(1S,2S)-2-ethylcyclohexan-1-ol	128.1201151	-1.6619	2.23	2.195	1	1	20.23	1	1	9	0
TCMC5195	C12H20O2	[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate	196.1463299	2.8483	2.56	3.208	2	0	26.3	6	0	14	0
TCMC5212	C30H50O	citrostadienol	426.3861662	2.5109	4.65	11.116	1	1	20.23	5	4	31	1
TCMC5223	C16H14N4	(E)-(4-methylbenzylidene)-(4-phenyltriazol-1-yl)amine	262.1218464	0.621	2.78	7.142	4	0	43.07	3	3	20	1
TCMC5402	C10H21NO8P	lecithin	313.0926532	-2.3862	1.46	-1.92	8	0	121	12	0	20	1
TCMC5588	C15H24	Aromadendrene	204.1878008	2.1549	3.11	6.544	0	0	0	0	3	15	1
TCMC5858	C15H24	(3S,4R)-3-isopropenyl-1-isopropyl-4-methyl-4-vinylcyclohexene	204.1878008	3.102	3.11	5.926	0	0	0	3	1	15	1
TCMC5885	C15H24	Copaene	204.1878008	1.7635	3.11	6.499	0	0	0	1	1	15	1
TCMC5970	C30H52O	cycloartanol	428.4018163	2.0263	4.65	12.778	1	1	20.23	5	5	31	1
TCMC6037	C15H24	(1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene	204.1878008	2.7484	3.11	6.104	0	0	0	3	1	15	1
TCMC6076	C17H32O2	methyl (Z)-hexadec-7-enoate	268.2402303	-1.5157	3.11	7.375	2	0	26.3	14	0	19	2
TCMC6244	C15H24	58870_FLUKA	204.1878008	2.051	3.11	5.835	0	0	0	0	3	15	1
TCMC6260	C15H24	Α-Guriunene	204.1878008	2.5253	3.11	5.944	0	0	0	0	3	15	1
TCMC6542	C7H14O	(3R)-2,2-dimethyl-3-propyloxirane	114.1044651	-0.1351	2.12	2.074	1	0	12.53	2	1	8	0
TCMC6660	C13H24NO10P	tryptophane	384.1059576	-3.7574	1.57	-1.273	10	1	188.77	15	0	25	1
TCMC6884	C10H16	3-methyl-6-(1-methylethylidene)-cyclohexene	136.1252005	2.2798	2.56	3.981	0	0	0	0	1	10	0
TCMC6971	C15H24O	cis-Z-alpha-Bisabolene epoxide	220.1827154	2.7504	3	3.862	1	0	12.53	3	2	16	0

Download Data

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Fructus perillae 紫苏子

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC6971

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6884

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6660

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6542

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6260

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6244

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6076

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6037

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5970

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5885

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5858

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5588

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5402

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5223

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5212

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5195

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5193

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5157

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5085

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5078

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5066

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4963

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4960

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4958

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4957

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4954

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4948

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4580

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4410

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4399