TCM-ID Component

Description of the Component

Component ID	TCMH158
Latin Name	Piper longum
English Name	Long pepper
Chinese Pinyin Name	Bi Ba
中文名	荜茇
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4247-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2931	An Kang Xin Bao Pills	安康心宝丸
TCMFx3483	Bao Long Pills	抱龙丸
TCMFx2566	Bolus of Storax; Liquidambar Pill	苏和香丸
TCMFx3251	Chi Tong Ning	齿痛宁
TCMFx3418	Die Da Wan Hua You	跌打万花油
TCMFx6910	Ding Gui Er Qi Tie	丁桂儿脐贴
TCMF3822	Du Tong Pills	肚痛丸
TCMFx4399	Granules Sha Capsules	克痢痧胶囊
TCMFx4407	Granules Sha Wei Pills	克痢痧微丸
TCMF4497	Hong Mao Yao Wine	鸿茅药酒
TCMF4717	Jie Biao Zhui Feng Pills	解表追风丸
TCMFx597	Ke Li Sha Capsule	克痢痧胶囊
TCMFx167	Liu Wei Mu Xiang Powder	六味木香散
TCMF5069	Qu Feng Su He Pills	驱风苏合丸
TCMFx5920	San Ceng Hui Xiang Pills	三层茴香丸
TCMFx5694	Shang Ke Wan Hua You	伤科万花油
TCMF7112	Shi Liu Jian Wei Pills	石榴健胃丸
TCMF7197	Shi Liu Jian Wei Tablets	石榴健胃片
TCMFx174	Shi Liu Wei Dong Qing Pills	十六味冬青丸
TCMF171	Shi Wei Shi Liu Pills	十味石榴丸
TCMF406	Shi Liu Jian Wei Powder	石榴健胃散
TCMFx5028	Su He Pills	苏合丸
TCMF546	Su He Xiang Pills	苏合香丸
TCMF981	Tong Qiao Zhen Tong Powder	通窍镇痛散
TCMF978	Tong Luo Qu Tong Ointment	通络祛痛膏
TCMF5425	Wang Hui Hui Gou Pi Ointment	王回回狗皮膏
TCMF266	Wu Wei Qing Zhuo Powder	五味清浊散
TCMF7007	Xue Shan Wei Bao Pills	雪山胃宝丸
TCMFx7201	Ya Tong Ting Di Pills	牙痛停滴丸
TCMFx6614	Ya Tong Yao Decoction	牙痛药水
TCMF6421	Yu Ye Jin Pills	玉液金丸
TCMFx6084	Zhi Shan Hui Xiang Pills	治疝茴香丸

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT100	TTR	Transthyretin	Unclassified	P02766
TCMT176	SOAT1	Acyl coenzyme A:cholesterol acyltransferase 1	Transferase	P35610
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT289	TBXAS1	Thromboxane-A synthase	Isomerase	P24557
TCMT314	HTR2C	Serotonin 2c (5-HT2c) receptor	GPCR	P28335
TCMT327	TRPV1	Vanilloid receptor	Ion channel	Q8NER1
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT555	HDAC6	Histone deacetylase 6	Hydrolase	Q9UBN7
TCMT557	HDAC1	Histone deacetylase 1	Hydrolase	Q13547
TCMT640	CTSD	Cathepsin D	Unclassified	P07339
TCMT690	HDAC3	Histone deacetylase 3	Hydrolase	O15379
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1112	Quinolone resistance protein norA
TCMT1181	Mycobacterium tuberculosis H37Ra
TCMT1218	Staphylococcus aureus
TCMT1226	Klebsiella pneumoniae
TCMT1232	Pseudomonas aeruginosa
TCMT1246	Escherichia coli
TCMT1289	Shigella dysenteriae
TCMT1438	Plasmodium falciparum
TCMT1454	Bacillus subtilis

Ingredient Structrues

Ingredient ID: TCMC6956
Formula: C24H33NO3

Common Name	Sylvatine
IUPAC Name	(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-[(E)-10-methylundec-5-enyl]penta-2,4-dienamide
Canonical SMILES	CC(CCC/C=C/CCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C
Standard InCHI	InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9+,14-10+
Standard InCHIKey	URFYPQQKBYOWIX-UDNGMWKQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [90472536];
Reference of Component-Ingredient Pair	21704957

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC6697
Formula: C23H29NO3

Common Name	Piperundecalidine
IUPAC Name	(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylundeca-2,4,10-trien-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
Standard InCHIKey	BADLEYLQAILHPV-AZMZBSBOSA-N
External Identifiers	ChEMBL [CHEMBL255762]; PubChem [44453654];
Reference of Component-Ingredient Pair	21704957

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC6373
Formula: C18H26O2

Common Name	1-Undecylenyl-3,4-Methylenedioxybenzene
IUPAC Name	5-undec-10-enyl-1,3-benzodioxole
Canonical SMILES	C=CCCCCCCCCCc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-16-12-13-17-18(14-16)20-15-19-17/h2,12-14H,1,3-11,15H2
Standard InCHIKey	TUOVWZLZRGOMKY-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21159019];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC5272
Formula: C21H27NO3

Common Name	1-[1-Oxo-9(3,4-Methylenedioxyphenyl)-2E,8E- Nonadienyl] Piperidine,Pipernonaline
IUPAC Name	(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=C/CCCC/C=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C21H27NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+
Standard InCHIKey	PKLGRWSJBLGIBF-JMQWPVDRSA-N
External Identifiers	ChEMBL [CHEMBL450332]; PubChem [9974595];
Reference of Component-Ingredient Pair	27452451

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇
TCMH907	Piper nigrum	Hu Jiao	胡椒

Ingredient ID: TCMC5104
Formula: C21H25NO3

Common Name	Dehydropipernonaline
IUPAC Name	(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
Standard InCHIKey	KAYVDASZRFLFRZ-PQECNABGSA-N
External Identifiers	ChEMBL [CHEMBL483708]; PubChem [6439947];
Reference of Component-Ingredient Pair	17188313

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC4882
Formula: C12H14O4

Common Name	Tetrahydropiperic Acid
IUPAC Name	5-(1,3-benzodioxol-5-yl)pentanoic acid
Canonical SMILES	[O-]C(=O)CCCCc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)/p-1
Standard InCHIKey	VSLFLWQBWGEPBW-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5321853];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC3025
Formula: C16H34

Common Name	Hexadecane
IUPAC Name	hexadecane
Canonical SMILES	CCCCCCCCCCCCCCCC
Standard InCHI	InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
Standard InCHIKey	DCAYPVUWAIABOU-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL134994]; PubChem [11006];
Reference of Component-Ingredient Pair	22909967

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁
TCMH2241	Panax quinquefolium	Xi Yang Shen	西洋参

Ingredient ID: TCMC2955
Formula: C5H11N

Common Name	Piperidine
IUPAC Name	piperidine
Canonical SMILES	C1CCC[NH2+]C1
Standard InCHI	InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1
Standard InCHIKey	NQRYJNQNLNOLGT-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL15487]; PubChem [8082];
Reference of Component-Ingredient Pair	23449869

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC2716
Formula: C26H37NO3

Common Name	Brachystamide B
IUPAC Name	(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide
Canonical SMILES	CC(CN=C(/C=C/C=C/CCCCCCCC/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C26H37NO3/c1-22(2)20-27-26(28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-18-24-25(19-23)30-21-29-24/h10,12-19,22H,3-9,11,20-21H2,1-2H3,(H,27,28)/b12-10+,15-13+,16-14+
Standard InCHIKey	DRMOIHOBUYFDKF-HMZUNPFJSA-N
External Identifiers	ChEMBL [CHEMBL271448]; PubChem [10047263];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1045	Piper sarmentosum	Jia Ju	假蒟

Ingredient ID: TCMC2597
Formula: C14H23NO

Common Name	Sarmentine
IUPAC Name	(2E,4E)-1-pyrrolidin-1-yldeca-2,4-dien-1-one
Canonical SMILES	CCCCC/C=C/C=C/C(=O)N1CCCC1
Standard InCHI	InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+
Standard InCHIKey	BFZBGTMIBOQWBA-HRCSPUOPSA-N
External Identifiers	ChEMBL [CHEMBL2205104]; PubChem [6440616];
Reference of Component-Ingredient Pair	20839888

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC2507
Formula: C20H25NO3

Common Name	Brachyamide B
IUPAC Name	(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylnona-2,8-dien-1-one
Canonical SMILES	O=C(N1CCCC1)/C=C/CCCC/C=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2/b9-5+,10-6+
Standard InCHIKey	BYKNKNBUHGFXQF-NXZHAISVSA-N
External Identifiers	ChEMBL [CHEMBL1669576]; PubChem [14162526];
Reference of Component-Ingredient Pair	15234750

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1045	Piper sarmentosum	Jia Ju	假蒟

Ingredient ID: TCMC2381
Formula: C8H10O

Common Name	Phenylethyl Alcohol
IUPAC Name	2-phenylethanol
Canonical SMILES	OCCc1ccccc1
Standard InCHI	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Standard InCHIKey	WRMNZCZEMHIOCP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL448500]; PubChem [6054];
Reference of Component-Ingredient Pair	22980851

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH463	Sanguisorba officinalis	Di Yu Tan	地榆炭
TCMH317	Capsella bursa-pastoris	Ci Cai	荠菜
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1979	Flos lonicerae	Shuang Hua	双花
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH158	Piper longum	Bi Ba	荜茇
TCMH202	Bombyx mori	Can Yong	蚕蛹
TCMH2300	Triticum aestivum	Xiao Mai	小麦
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH2121	Semen astragali complanati	Tong Ji Li	潼蒺藜
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2593	Octopus vulgaris	Zhang Yu	章鱼
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
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
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH1810	Semen astragali complanati	Sha Yuan Ji Li	沙苑蒺藜
TCMH1811	Semen astragali complanati	Sha Yuan Zi	沙苑子
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
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
TCMH462	Sanguisorba officinalis	Di Yu	地榆
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH250	Triticum aestivum	Chen Xiao Mai Fen	陈小麦粉

Ingredient ID: TCMC2067
Formula: C7H6O3

Common Name	Sesamol
IUPAC Name	1,3-benzodioxol-5-ol
Canonical SMILES	Oc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
Standard InCHIKey	LUSZGTFNYDARNI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1517998]; PubChem [68289];
Reference of Component-Ingredient Pair	22577367

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2623	Oleum sesami	Zhi Ma You	芝麻油
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH2185	Acanthopanax gracilistylus	Wu Jia Pi	五加皮
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH331	Eleutherococcus senticosus	Ci Wu Jia Qing Gao	刺五加清膏
TCMH2621	Semen sesami	Zhi Ma	芝麻
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1420	Oleum sesami	Ma You	麻油
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH2082	Acanthopanax gracilistylus	Teng Wu Jia Gen	藤五加根
TCMH2139	Acanthopanax gracilistylus	Tu Jia Pi	土加皮
TCMH2152	Acanthopanax gracilistylus	Tu Wu Jia	土五加
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH328	Eleutherococcus senticosus	Ci Wu Jia Gao	刺五加膏
TCMH329	Eleutherococcus senticosus	Ci Wu Jia Jin Gao	刺五加浸膏
TCMH330	Eleutherococcus senticosus	Ci Wu Jia Jin Yu	刺五加浸育

Ingredient ID: TCMC2066
Formula: C20H18O6

Common Name	Sesamin
IUPAC Name	5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Canonical SMILES	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
Standard InCHIKey	PEYUIKBAABKQKQ-AFHBHXEDSA-N
External Identifiers	ChEMBL [CHEMBL252915]; PubChem [72307];
Reference of Component-Ingredient Pair	23337743

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH914	Sesamum indicum	Hu Ma Ren	胡麻仁
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH2150	Cuscuta australis	Tu Si Zi Teng	菟丝子藤
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH2381	Daphne genkwa	Yuan Hua Zhi Tiao	芫花枝条
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH445	Hypericum japonicum	Di Er Cao	地耳草
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2589	Cinnamomum camphora	Zhang Shu Zi	樟树子
TCMH1191	Gynura japonica	Ju Ye San Qi	菊叶三七
TCMH158	Piper longum	Bi Ba	荜茇
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH66	Cleome gynandra	Bai Hua Cai Zi	白花菜子
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH848	Sesamum indicum	Hei Zhi Ma	黑芝麻
TCMH913	Sesamum indicum	Hu Ma	胡麻
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
TCMH2148	Cuscuta australis	Tu Si Rou	菟丝肉
TCMH2149	Cuscuta australis	Tu Si Zi	菟丝子
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH1187	Gynura japonica	Ju San Qi	菊三七
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
TCMH344	Daphne genkwa	Cu Yuan Hua	醋芫花
TCMH2378	Daphne genkwa	Yuan Hua	芫花
TCMH2379	Daphne genkwa	Yuan Hua Gen	芫花根
TCMH2380	Daphne genkwa	Yuan Hua Tiao	芫花条

Ingredient ID: TCMC2009
Formula: C22H29NO3

Common Name	Retrofractamide B
IUPAC Name	(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
Canonical SMILES	CC(CN=C(/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h6,8-15,18H,3-5,7,16-17H2,1-2H3,(H,23,24)/b8-6+,11-9+,12-10+
Standard InCHIKey	RPOYGOULCHMVBB-ADDDGJNWSA-N
External Identifiers	ChEMBL [CHEMBL257943]; PubChem [5372162];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC2008
Formula: C20H25NO3

Common Name	Retrofractamide A
IUPAC Name	(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
Canonical SMILES	CC(CN=C(/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C20H25NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3,(H,21,22)/b6-4+,9-7+,10-8+
Standard InCHIKey	BPSWISYORIWKCT-FCGWLDPVSA-N
External Identifiers	ChEMBL [CHEMBL255152]; PubChem [11012859];
Reference of Component-Ingredient Pair	23910984

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC1909
Formula: C17H19NO5

Common Name	Piplartine
IUPAC Name	1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Canonical SMILES	COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1OC)OC
Standard InCHI	InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
Standard InCHIKey	VABYUUZNAVQNPG-BQYQJAHWSA-N
External Identifiers	ChEMBL [CHEMBL465843]; PubChem [637858];
Reference of Component-Ingredient Pair	28913568

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1962	Gymnadenia conopsea	Shou Shen	手参
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC1905
Formula: C16H19NO3

Common Name	Piperlonguminine
IUPAC Name	(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide
Canonical SMILES	CC(CN=C(/C=C/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
Standard InCHIKey	WHAAPCGHVWVUEX-GGWOSOGESA-N
External Identifiers	ChEMBL [CHEMBL253973]; PubChem [5320621];
Reference of Component-Ingredient Pair	24194261

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH158	Piper longum	Bi Ba	荜茇
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	淮山药
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC1904
Formula: C17H19NO3

Common Name	Piperine
IUPAC Name	(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Standard InCHIKey	MXXWOMGUGJBKIW-YPCIICBESA-N
External Identifiers	ChEMBL [CHEMBL43185]; PubChem [638024];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH2218	Rubia cordifolia	Qian Cao Teng	茜草藤
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC1903
Formula: C22H31NO3

Common Name	Piperchabamide D
IUPAC Name	(2E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,10-dienamide
Canonical SMILES	CC(CN=C(/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)/b11-9+,12-10+
Standard InCHIKey	DOGZABSTLUIXJO-WGDLNXRISA-N
External Identifiers	ChEMBL [CHEMBL258114]; PubChem [16041827];
Reference of Component-Ingredient Pair	28349654

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH158	Piper longum	Bi Ba	荜茇

Ingredient ID: TCMC1902
Formula: C17H21NO3

Common Name	Piperanine
IUPAC Name	(E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=C/CCc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+
Standard InCHIKey	QHWOFMXDKFORMO-XVNBXDOJSA-N
External Identifiers	ChEMBL [CHEMBL256218]; PubChem [5320618];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC1848
Formula: C14H25NO

Common Name	Pellitorin
IUPAC Name	(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
Canonical SMILES	CCCCC/C=C/C=C/C(=NCC(C)C)O
Standard InCHI	InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
Standard InCHIKey	MAGQQZHFHJDIRE-BNFZFUHLSA-N
External Identifiers	ChEMBL [CHEMBL271242]; PubChem [5318516];
Reference of Component-Ingredient Pair	24077682

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
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH158	Piper longum	Bi Ba	荜茇
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	淮山药
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH587	Piper kadsura	Feng Teng	风藤

Ingredient ID: TCMC1662
Formula: C14H18N2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1
Standard InCHI	InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1
Standard InCHIKey	XOSKJKGKWRIMGV-DGCLKSJQSA-N
External Identifiers	ChEMBL [CHEMBL1628670]; PubChem [10130594];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁

Ingredient ID: TCMC1299
Formula: C24H33NO3

Common Name	Guineensine
IUPAC Name	(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide
Canonical SMILES	CC(CN=C(/C=C/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2)O)C
Standard InCHI	InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
Standard InCHIKey	FPMPOFBEYSSYDQ-AUVZEZIHSA-N
External Identifiers	ChEMBL [CHEMBL404184]; PubChem [6442405];
Reference of Component-Ingredient Pair	28942644

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH2715	Ardisia japonica	Zi Jin Niu	紫金牛
TCMH1051	Piper sarmentosum	Jia 蒟ye	假蒟叶
TCMH158	Piper longum	Bi Ba	荜茇
TCMH1045	Piper sarmentosum	Jia Ju	假蒟
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Ingredient ID: TCMC100
Formula: C17H19NO3

Common Name	(2Z,4Z)-5-(1,3-Benzodioxol-5-Yl)-1-Piperidin-1-Ylpenta-2,4-Dien-1-One
IUPAC Name	(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Canonical SMILES	O=C(N1CCCCC1)/C=CC=C/c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3-
Standard InCHIKey	MXXWOMGUGJBKIW-PORYWJCVSA-N
External Identifiers	ChEMBL [CHEMBL1395862]; PubChem [1548912];
Reference of Component-Ingredient Pair	27396401

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH158	Piper longum	Bi Ba	荜茇
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC100	C17H19NO3	(2Z,4Z)-5-(1,3-Benzodioxol-5-Yl)-1-Piperidin-1-Ylpenta-2,4-Dien-1-One	285.14	-0.9494	2.89	3.167	2	0	38.77	4	3	21	0
TCMC1299	C24H33NO3	Guineensine	383.25	0.6319	3.66	7.693	2	1	51.05	15	2	28	2
TCMC1662	C14H18N2		214.15	-1.0493	2.78	2.311	2	1	15.27	0	4	16	0
TCMC1848	C14H25NO	Pellitorin	223.19	0.5505	2.78	4.887	2	1	32.59	12	0	16	0
TCMC1902	C17H21NO3	Piperanine	287.15	-1.0992	2.89	3.245	2	0	38.77	5	3	21	0
TCMC1903	C22H31NO3	Piperchabamide D	357.23	0.1641	3.44	6.999	2	1	51.05	14	2	26	2
TCMC1904	C17H19NO3	Piperine	285.14	-0.9494	2.89	3.167	2	0	38.77	4	3	21	0
TCMC1905	C16H19NO3	Piperlonguminine	273.14	0.8049	2.78	3.657	2	1	51.05	8	2	20	0
TCMC1909	C17H19NO5	Piplartine	317.13	-0.4679	2.67	1.333	3	0	65.07	9	2	23	0
TCMC2008	C20H25NO3	Retrofractamide A	327.18	1.7839	3.22	5.417	2	1	51.05	11	2	24	1
TCMC2009	C22H29NO3	Retrofractamide B	355.21	1.2079	3.44	6.555	2	1	51.05	13	2	26	1
TCMC2066	C20H18O6	Sesamin	354.11	-1.6034	3	2.576	2	0	55.38	2	6	26	0
TCMC2067	C7H6O3	Sesamol	138.03	-0.763	1.9	0.872	0	1	38.69	1	2	10	0
TCMC2381	C8H10O	Phenylethyl Alcohol	122.07	-0.1931	2.23	3.189	1	1	20.23	3	1	9	0
TCMC2507	C20H25NO3	Brachyamide B	327.18	-0.7262	3.22	5.013	2	0	38.77	8	3	24	1
TCMC2597	C14H23NO	Sarmentine	221.18	-0.9158	2.78	4.039	2	0	20.31	8	1	16	0
TCMC2716	C26H37NO3	Brachystamide B	411.28	0.0559	3.88	8.831	2	1	51.05	17	2	30	2
TCMC2955	C5H11N	Piperidine	86.09697438	-2.2847	1.9	0.8	0	1	16.61	0	1	6	0
TCMC3025	C16H34	Hexadecane	226.2660511	-3.9294	3.22	9.444	0	0	0	13	0	16	2
TCMC4882	C12H14O4	Tetrahydropiperic Acid	221.0813839	-1.6991	2.34	2.079	2	0	58.59	5	2	16	0
TCMC5104	C21H25NO3	Dehydropipernonaline	339.1834437	0.0296	3.33	4.927	2	0	38.77	7	3	25	0
TCMC5272	C21H27NO3	1-[1-Oxo-9(3,4-Methylenedioxyphenyl)-2E,8E- Nonadienyl] Piperidine,Pipernonaline	341.1990937	-1.0142	3.33	5.371	2	0	38.77	8	3	25	1
TCMC6373	C18H26O2	1-Undecylenyl-3,4-Methylenedioxybenzene	274.1932801	-1.2932	3.22	7.482	0	0	18.46	10	2	20	1
TCMC6697	C23H29NO3	Piperundecalidine	367.2147438	-0.5464	3.55	6.065	2	0	38.77	9	3	27	1
TCMC6956	C24H33NO3	Sylvatine	383.2460439	0.8465	3.66	7.486	2	1	47.56	13	2	28	2

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: Piper longum 荜茇

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: TCMC6956

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6697

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6373

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5272

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5104

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4882

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3025

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2955

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2716

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2597

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2507

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2381

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2067

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2066

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2009

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2008

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1909

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1905

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1904

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1903

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1902

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1848

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1662

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1299

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC100

Occurrence of the ingredient across TCM components

Properties

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