TCM-ID Component

Description of the Component

Component ID	TCMH2596
Latin Name	Fritillaria verticillata
English Name	Thunberg fritillary
Chinese Pinyin Name	Zhe Bei Mu
中文名	浙贝母
TCM Properties	Cold,Bitter
TCM Meridians	Lung,Heart
Therapeutic Class English	For desolving phlegm, stopping cougth, and soothing breathing
Therapeutic Class Chinese	化痰止咳平喘
Functions	remove heat and resolve phlegm, ease the mind, and reduce modulation
Toxicity	NA
Geo-authentic habitats (道地产区)	Zhejiang Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2959	An Sou Hua Tan Pills	安嗽化痰丸
TCMFx2967	An Sou Tablets	安嗽片
TCMFx2952	Ba Bao Zhi Hong Pills	八宝治红丸
TCMFx3258	Bao Chi Yi Li Jin Pills	保赤一粒金丸
TCMFx3249	Bao Chi Yi Li Jin Powder	保赤一粒金散
TCMF3226	Bao Ke Ning Granules	宝咳宁颗粒
TCMFx3413	Bao Tong Hua Tan Pills	保童化痰丸
TCMFx2590	Baokening Granules	宝咳宁颗粒
TCMFx1423	Baokening Granules	宝咳宁颗粒
TCMFx3859	Bu Jin Tablets	补金片
TCMFx1923	Decoction of Mori and Armeniaceae Amarum	桑杏汤
TCMF2414	Decoction of Sargassum for Gortier	海藻玉壶汤
TCMF2451	Detoxification Decoction	解毒内消汤
TCMF187	Er Mu An Sou Pills	二母安嗽丸
TCMF3023	Er Mu An Sou Pills	二母安嗽丸
TCMFx3015	Er Mu An Sou Syrup	二母安嗽糖浆
TCMF3009	Er Mu An Sou Tablets	二母安嗽片
TCMFx3885	Er Tong Hua Du Powder	儿童化毒散
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
TCMFx2615	Ertong Qingfei Pills	儿童清肺丸
TCMFx1436	Ertong Qingfei Pills	儿童清肺丸
TCMFx2481	Fairy Decoction for Treating Cutaneous Infections	仙方活命饮
TCMF3323	Feng Re Ke Sou Pills	风热咳嗽丸
TCMFx3670	Fu Fang Li Ointment	复方梨膏
TCMFx3839	Fu Fang Pi Pa Ye Ointment	复方枇杷叶膏
TCMFx3142	Fu Fang Xia Ku Cao Ointment	复方夏枯草膏
TCMF3808	Gan Mao Shang Feng Ke Tea	感冒伤风咳茶
TCMF3515	Gu Tong Pills	骨痛丸
TCMFx858	Gui Lin Xi Gua Shuang	桂林西瓜霜
TCMFx4109	Gui Lin Xi Gua Shuang	桂林西瓜霜
TCMFx4116	Gui Lin Xi Gua Shuang Capsules	桂林西瓜霜胶囊
TCMFx7058	Gui Lin Xi Gua Shuang Han Tablets	桂林西瓜霜含片
TCMFx4390	He Chan Tablets	鹤蟾片
TCMFx4895	Hua Du Powder	化毒散
TCMFx990	Huang Shi Xiang Sheng Pills	黄氏响声丸
TCMFx4645	Jie Bei Recipe	桔贝合剂
TCMFx4752	Jie Ji Ning Sou Tablets	解肌宁嗽片
TCMFx1409	Jieji Ningsou Pills	解肌宁嗽丸
TCMFx2542	Jieji Ningsou Pills	解肌宁嗽丸
TCMF645	Jin Bei Tan Ke Qing Granules	金贝痰咳清颗粒
TCMF4819	Jin Bu Huan Ointment	金不换膏
TCMFx4132	Jin Sang San Jie Capsules	金嗓散结胶囊
TCMFx4139	Jin Sang San Jie Pills	金嗓散结丸
TCMFx718	Jin Sang San Jie Pills	金嗓散结丸
TCMFx1043	Jin Tong Xiao Tincture	筋痛消酊
TCMF4339	Jing Zhi Ke Sou Tan Chuan Pills	京制咳嗽痰喘丸
TCMFx4513	Jiu Hua Zhi Chuang Shuan	九华痔疮栓
TCMFx1174	Ju Hong Capsule	橘红胶囊
TCMFx1176	Ju Hong Granules	橘红颗粒
TCMFx1172	Ju Hong Tablet	橘红片
TCMFx1412	Juhong Pills	橘红丸
TCMFx2564	Juhong Pills; Tangerine Peel Bolus	橘红丸
TCMFx7164	Ke Ke Ping Capsules	咳克平胶囊
TCMFx6862	Ke Shu Syrup	咳舒糖浆
TCMFx4519	Ku Gan Infusion	苦甘冲剂
TCMFx4610	Kui Yang Ling Capsules	溃疡灵胶囊
TCMFx4698	Lai Yang Li Ointment	莱阳梨膏
TCMF4775	Lang Chuang Pills	狼疮丸
TCMF930	Lang Chuang Pills	狼疮丸
TCMF4100	Lian Qiao Bai Du Ointment	连翘败毒膏
TCMF4113	Lian Qiao Bai Du Pills	连翘败毒丸
TCMF4106	Lian Qiao Bai Du Tablets	连翘败毒片
TCMF602	Li Yan Jie Du Granules	利咽解毒颗粒
TCMFx4406	Ling Yang Qing Fei Granules	羚羊清肺颗粒
TCMFx123	Ling Yang Qing Fei Granules	羚羊清肺颗粒
TCMFx4423	Ling Yang Qing Fei Pills	羚羊清肺丸
TCMFx96	Ling Ze Tablets	灵泽片
TCMFx1443	Lingyang Qingfei Pills	羚羊清肺丸
TCMFx2623	Lingyang Qingfei Pills	羚羊清肺丸
TCMF4845	Nei Xiao Luo Li Pills	内消瘰疬丸
TCMF330	Nei Xiao Luo Li Tablet	内消瘰疬片
TCMF4838	Nei Xiao Luo Li Tablets	内消瘰疠片
TCMFx4979	Niu Huang Ba Bao Pills	牛黄八宝丸
TCMFx2189	Phlegm and Stagnation Desolving Decoction	消痰化解汤
TCMFx2111	Powder of Antelope's Horn for Clearing Lung-heat	羚羊清肺散
TCMFx1864	Pustule Desolving Decoction	消痛汤
TCMFx5016	Qian Jin Zhi Ke Pills	千金止咳丸
TCMF5165	Qing Fei Ning Sou Pills	清肺宁嗽丸
TCMF84	Qing Fei Yi Huo Pills	清肺抑火丸
TCMFx5196	Qing Fei Zhi Ke Pills	清肺止咳丸
TCMF5333	Qing Jin Ning Fei Pills	清金宁肺丸
TCMF5340	Qing Jin Zhi Sou Hua Tan Pills	清金止嗽化痰丸
TCMF5675	Qing Re Yang Yin Pills	清热养阴丸
TCMF4958	Qing Yan Run Hou Pills	清咽润喉丸
TCMF68	Qing Yan Run Hou Pills	清咽润喉丸
TCMF2282	Qingfei Yihuo Pills	清肺抑火丸
TCMF5649	Ru He Nei Xiao Oral Liquid	乳核内消液
TCMF7	Ru Kang Capsule	乳康胶囊
TCMF6	Ru Kang Pills	乳康丸
TCMF5670	Ru Kang Tablets	乳康片
TCMF960	Run Fei Zhi Sou Pills	润肺止嗽丸
TCMF5775	Run Fei Zhi Sou Pills	润肺止嗽丸
TCMFx5216	San Feng Ning Sou Syrup	散风宁嗽糖浆
TCMFx1030	San Jie Zhen Tong Capsule	散结镇痛胶囊
TCMFx5097	San Qi Shang Ke Powder	三七伤科散
TCMFx5089	San Qi Shang Ke Tablets	三七伤科片
TCMFx5612	Shang Feng Gan Mao Infusion	伤风感冒冲剂
TCMFx5934	She Dan Bei Mu Powder	蛇胆贝母散
TCMFx5927	She Dan Bei Mu Tablets	蛇胆贝母片
TCMFx3156	Shen Bei Bei Gua Ointment	参贝北瓜膏
TCMFx3551	Shen Rong Gu Ben Huan Shao Pills	参茸固本还少丸
TCMF5901	Shi Er Tai Bao Pills	十二太保丸
TCMFx5797	Si Fang Wei Capsules	四方胃胶囊
TCMFx449	Si Fang Wei Tablet	四方胃片
TCMFx5804	Si Fang Wei Tablets	四方胃片
TCMF902	Tie Di Oral Liquid	铁笛口服液
TCMF5763	Tie Di Pills	铁笛丸
TCMF903	Tie Di Pills	铁笛丸
TCMF6930	Tie Di Tablets	铁笛片
TCMFx5672	Wei Ke Ning	胃可宁
TCMFx5781	Wei Shu Tablets	胃舒片
TCMFx5788	Wei Tai Ping Capsules	胃太平胶囊
TCMFx5876	Wei Yang An Capsules	胃疡安胶囊
TCMFx416	Wu Bei Granules	乌贝颗粒
TCMFx415	Wu Bei Powder	乌贝散
TCMFx5386	Wu Hai Pills	五海丸
TCMF5483	Wu Li Hui Chun Pills	五粒回春丸
TCMFx5354	Wu Xi Shang Yao	无锡伤药
TCMFx5907	Xian Fang Huo Ming Tablets	仙方活命片
TCMF6915	Xiao Er Bao Tai Kang Granules	小儿宝泰康颗粒
TCMFx6096	Xiao Er Ke Sou Ning Syrup	小儿咳嗽宁糖浆
TCMFx6143	Xiao Er Niu Huang Granules	小儿牛黄颗粒
TCMFx6165	Xiao Er Niu Huang Powder	小儿牛黄散
TCMF6053	Xiao He Tablets	消核片
TCMFx6194	Xiao Luo Xia Ku Cao Ointment	消瘰夏枯草膏
TCMFx958	Xiao Ying Pills	消瘿丸
TCMFx7221	Xing Bei Zhi Ke Granules	杏贝止咳颗粒
TCMFx169	Yang Dan Pills	羊胆丸
TCMFx7050	Ye Lu Zhi Ke Recipe	椰露止咳合剂
TCMF2058	Yin Generating Lung Clearing Decoction	养阴清肺汤
TCMFx7158	Yin Huang Qing Fei Capsules	银黄清肺胶囊
TCMF6421	Yu Ye Jin Pills	玉液金丸
TCMF6429	Yu Ye Pills	玉液丸
TCMFx6490	Zhi Granules Jiang	止咳梨浆
TCMFx6026	Zhi Hong Pills	治红丸
TCMFx6611	Zhi Sou Qing Guo Pills	止嗽青果丸
TCMF6686	Zhui Feng Zhuang Gu Ointment	追风壮骨膏

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC7363
Formula: C28H47NO2

Common Name	Hapepunine
IUPAC Name	(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]([C@@H]2[C@@H]([C@@H]2CC[C@@H](C[NH+]2C)C)C)O)C)C1)C
Standard InCHI	InChI=1S/C28H47NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h7,17-18,20-26,30-31H,6,8-16H2,1-5H3/p+1/t17-,18+,20-,21+,22-,23-,24-,25-,26-,27-,28-/m0/s1
Standard InCHIKey	QFHXSIDXKCKLAC-KIMRCJMESA-O
External Identifiers	ChEMBL [N/A]; PubChem [131636590];
Reference of Component-Ingredient Pair	7576459

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC7314
Formula: C27H43NO3

Common Name	Zhebeinone
IUPAC Name	(1R,2S,6R,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16+,17-,18-,19+,20+,21+,22+,23-,25+,26-,27+/m1/s1
Standard InCHIKey	IQDIERHFZVCNRZ-JQPZYHRRSA-O
External Identifiers	ChEMBL [N/A]; PubChem [122384462];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6530
Formula: C20H32O

Common Name	Ent-Kaur-15-En-17-Ol
IUPAC Name	[(1S,4R,9R,10S,13R)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
Canonical SMILES	OCC1=C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C20H32O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12,14,16-17,21H,4-11,13H2,1-3H3/t14-,16-,17+,19-,20+/m1/s1
Standard InCHIKey	BYNLGAZDLCEGRX-YTYFBAJQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21670065];
Reference of Component-Ingredient Pair	2085405

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6529
Formula: C21H36O2

Common Name	Ent-16Α-Methoxy-Kauran-17-Ol
IUPAC Name	[(1S,4R,9R,10R,13R,14S)-14-methoxy-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methanol
Canonical SMILES	OC[C@]1(OC)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C21H36O2/c1-18(2)9-5-10-19(3)16(18)8-11-20-12-15(6-7-17(19)20)21(13-20,14-22)23-4/h15-17,22H,5-14H2,1-4H3/t15-,16-,17+,19-,20+,21-/m1/s1
Standard InCHIKey	HVFKLKUNMUJCRB-JFLLUYDKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21670064];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6528
Formula: C20H32O

Common Name	Ent-16Β,17-Epoxy-Kaurane
IUPAC Name	(1'S,2R,4'R,9'R,10'R,13'R)-5',5',9'-trimethylspiro[oxirane-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]
Canonical SMILES	CC1(C)CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H](C1)[C@]1(C3)CO1)C
Standard InCHI	InChI=1S/C20H32O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(12-19)13-21-20/h14-16H,4-13H2,1-3H3/t14-,15-,16+,18-,19+,20+/m1/s1
Standard InCHIKey	IVLAOQKNYRWCMZ-URTLRTLISA-N
External Identifiers	ChEMBL [N/A]; PubChem [21670063];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6395
Formula: C40H67NO11

Common Name	Hapepunine 3-O-Α-L-Rhamnosyl-(1→2)-Β-D-Glucopyranoside
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]([C@@H]3[C@@H]([C@@H]3CC[C@@H](C[NH+]3C)C)C)O)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C40H67NO11/c1-19-7-10-27(41(6)17-19)20(2)30-28(43)16-26-24-9-8-22-15-23(11-13-39(22,4)25(24)12-14-40(26,30)5)50-38-36(34(47)32(45)29(18-42)51-38)52-37-35(48)33(46)31(44)21(3)49-37/h8,19-21,23-38,42-48H,7,9-18H2,1-6H3/p+1/t19-,20+,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-/m0/s1
Standard InCHIKey	AQVXATDVSVXGRW-ZXGJMYNLSA-O
External Identifiers	ChEMBL [N/A]; PubChem [21575049];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6384
Formula: C27H45NO3

Common Name	Isoverticine
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
Standard InCHIKey	IUKLSMSEHKDIIP-RZNVUHDWSA-O
External Identifiers	ChEMBL [N/A]; PubChem [21573744];
Reference of Component-Ingredient Pair	22101082

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6361
Formula: C27H45NO3

Common Name	Zhebeinine
IUPAC Name	(1R,2S,6R,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1
Standard InCHIKey	IUKLSMSEHKDIIP-SWOAVMBCSA-O
External Identifiers	ChEMBL [N/A]; PubChem [21121503];
Reference of Component-Ingredient Pair	8274215

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6341
Formula: C33H55NO8

Common Name	Peiminoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-10,17-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)[C@@H](O)C[C@@H]2[C@@H]3C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[NH+]3C[C@@H](C)CC[C@H]3[C@@]2(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C33H55NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-31,35-40H,4-15H2,1-3H3/p+1/t16-,17-,18+,19+,20-,21-,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
Standard InCHIKey	HRUKKZDXKJUOSO-ZZKZGCOJSA-O
External Identifiers	ChEMBL [N/A]; PubChem [20055070];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6311
Formula: C18H32O3

Common Name	9-Hydroxy-10E,12Z-Octadecadienoic Acid
IUPAC Name	(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Canonical SMILES	CCCCC/C=CC=C[C@@H](CCCCCCCC(=O)[O-])O
Standard InCHI	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6-,14-11+/t17-/m0/s1
Standard InCHIKey	NPDSHTNEKLQQIJ-WXUVIADPSA-M
External Identifiers	ChEMBL [N/A]; PubChem [16061059];
Reference of Component-Ingredient Pair	29214599

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC6006
Formula: C20H34O2

Common Name	Ent-Kauran-16Β,17-Diol
IUPAC Name	(1S,4R,9R,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
Canonical SMILES	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C20H34O2/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(22,12-19)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15-,16+,18-,19+,20+/m1/s1
Standard InCHIKey	LCYWCTWYVKIBSA-URTLRTLISA-N
External Identifiers	ChEMBL [CHEMBL3357413]; PubChem [13816761];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC5874
Formula: C19H30O

Common Name	Ent-17-Norkauran-16-One
IUPAC Name	(1S,4R,9R,10R,13R)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-one
Canonical SMILES	O=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C19H30O/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-13(14(20)12-19)5-6-16(18)19/h13,15-16H,4-12H2,1-3H3/t13-,15-,16+,18-,19+/m1/s1
Standard InCHIKey	JJFSSTSAIZSCOF-HSAPRAMBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12112097];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC5873
Formula: C20H34O2

Common Name	Ent-Kauran-16Α,17-Diol
IUPAC Name	(1S,4R,9R,10R,13R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
Canonical SMILES	OC[C@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C20H34O2/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(22,12-19)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15-,16+,18-,19+,20-/m1/s1
Standard InCHIKey	LCYWCTWYVKIBSA-FUPFEQNASA-N
External Identifiers	ChEMBL [CHEMBL3357414]; PubChem [12112093];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC5452
Formula: C27H43NO2

Common Name	Zhebeirine
IUPAC Name	(1R,2S,6R,9S,10R,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@H](C)CC[C@H]2[C@@H]1C)C
Standard InCHI	InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/p+1/t15-,16-,17+,18-,19-,20-,21+,22-,23+,24-,25+,27-/m1/s1
Standard InCHIKey	MWBJDDYEYGDWCZ-PAYGNFRXSA-O
External Identifiers	ChEMBL [N/A]; PubChem [10597859];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC5174
Formula: C34H49N5O6

Common Name	Apicidin
IUPAC Name	(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Canonical SMILES	CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1cn(c2c1cccc2)OC)[C@H](CC)C
Standard InCHI	InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
Standard InCHIKey	JWOGUUIOCYMBPV-GMFLJSBRSA-N
External Identifiers	ChEMBL [CHEMBL430060]; PubChem [6918328];
Reference of Component-Ingredient Pair	17868033

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4563
Formula: C27H43NO2

Common Name	Fritillarizine
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,20R,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-17-ene-10,20-diol
Canonical SMILES	O[C@@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C[C@@H]2[C@H]3CC[C@H]3[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]3(C)O)C1)C
Standard InCHI	InChI=1S/C27H43NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h5,16,18-25,29-30H,4,6-15H2,1-3H3/p+1/t16-,18+,19-,20-,21+,22-,23-,24-,25-,26-,27-/m0/s1
Standard InCHIKey	YRLBRLSLZIRTGX-MLQUENCRSA-O
External Identifiers	ChEMBL [N/A]; PubChem [5317396];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4476
Formula: C20H32O

Common Name	Trans-Communol
IUPAC Name	[(1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
Canonical SMILES	C=C/C(=C/C[C@@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)CO)/C
Standard InCHI	InChI=1S/C20H32O/c1-6-15(2)8-10-17-16(3)9-11-18-19(4,14-21)12-7-13-20(17,18)5/h6,8,17-18,21H,1,3,7,9-14H2,2,4-5H3/b15-8+/t17-,18+,19-,20-/m1/s1
Standard InCHIKey	KDNYVXLYMQKQHH-YHYHFWBWSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5316025];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4475
Formula: C21H32O2

Common Name	Trans-Communic Acid Methyl Ester
IUPAC Name	methyl (1S,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Canonical SMILES	COC(=O)[C@@]1(C)CCC[C@]2([C@H]1CCC(=C)[C@H]2C/C=C(/C=C)C)C
Standard InCHI	InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18-,20-,21+/m1/s1
Standard InCHIKey	WYJKGKPQXWDIQP-XFPKCUBTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5316024];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4427
Formula: C18H32O3

Common Name	Β-Dimorphecolic Acid
IUPAC Name	(9S,10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
Canonical SMILES	CCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)[O-])O
Standard InCHI	InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6+,14-11+/t17-/m1/s1
Standard InCHIKey	NPDSHTNEKLQQIJ-RUDINFOGSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5312829];
Reference of Component-Ingredient Pair	26246722

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4222
Formula: C20H32O

Common Name	Kaur-15-En-17-Ol
IUPAC Name	[(4R,9R,10S,13S)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
Canonical SMILES	OCC1=CC23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C
Standard InCHI	InChI=1S/C20H32O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12,14,16-17,21H,4-11,13H2,1-3H3/t14-,16+,17-,19+,20?/m0/s1
Standard InCHIKey	BYNLGAZDLCEGRX-GTZPUNCASA-N
External Identifiers	ChEMBL [N/A]; PubChem [3082069];
Reference of Component-Ingredient Pair	2085405

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC4087
Formula: C20H30O2

Common Name	Communol
IUPAC Name	(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Canonical SMILES	C=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)[O-])/C
Standard InCHI	InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/p-1/b14-8+/t16-,17+,19+,20-/m0/s1
Standard InCHIKey	YGBZFOQXPOGACY-VWVSFFKRSA-M
External Identifiers	ChEMBL [CHEMBL498097]; PubChem [637125];
Reference of Component-Ingredient Pair	24853713

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3672
Formula: C27H41NO2

Common Name	Ebeinone
IUPAC Name	(1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CCC1=C2C[NH+]2C[C@H](C)CC[C@H]2[C@@H]1C)C
Standard InCHI	InChI=1S/C27H41NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-17,19-21,23-25,29H,4-14H2,1-3H3/p+1/t15-,16-,17+,19-,20-,21+,23+,24-,25+,27-/m1/s1
Standard InCHIKey	ICSCULPVAJQROK-ILIONMCUSA-O
External Identifiers	ChEMBL [N/A]; PubChem [180322];
Reference of Component-Ingredient Pair	9042388

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3629
Formula: C27H43NO3

Common Name	Peiminine,Simperialine
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
Standard InCHIKey	IQDIERHFZVCNRZ-YUYPDVIUSA-O
External Identifiers	ChEMBL [N/A]; PubChem [167691];
Reference of Component-Ingredient Pair	28832506

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH1626	Fritillaria ussuriensis	Ping Bei Mu	平贝母
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3593
Formula: C27H41NO3

Common Name	Ebeiensine,Peimisine
IUPAC Name	(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC2=C(C)[C@]3(CC[C@@H]12)O[C@H]1[C@H]([C@H]3C)[NH2+]C[C@H](C1)C)C
Standard InCHI	InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/p+1/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
Standard InCHIKey	KYELXPJVGNZIGC-GKFGJCLESA-O
External Identifiers	ChEMBL [N/A]; PubChem [161294];
Reference of Component-Ingredient Pair	28415020

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH1626	Fritillaria ussuriensis	Ping Bei Mu	平贝母
TCMH2469	Fritillaria pallidiflora	Yi Bei Mu	伊贝母
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3547
Formula: C27H45NO3

Common Name	Isobaimonidine
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20R,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
Canonical SMILES	O[C@@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16+,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
Standard InCHIKey	IUKLSMSEHKDIIP-QHGMWKTKSA-O
External Identifiers	ChEMBL [N/A]; PubChem [156461];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3488
Formula: C27H45NO3

Common Name	Peimine
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
Canonical SMILES	O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2C[NH+]2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C
Standard InCHI	InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/p+1/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
Standard InCHIKey	IUKLSMSEHKDIIP-BZMYINFQSA-O
External Identifiers	ChEMBL [N/A]; PubChem [131900];
Reference of Component-Ingredient Pair	22886818

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1626	Fritillaria ussuriensis	Ping Bei Mu	平贝母
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC3425
Formula: C39H63NO10

Common Name	Solanidine-3-O-Α-L-Rhamnopyranosyl-(1→2)-Β-D-Glucopyranoside
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@H]3[NH+]4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/p+1/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1
Standard InCHIKey	ZLSYCIYRYZUJCZ-MTXMLOAPSA-O
External Identifiers	ChEMBL [N/A]; PubChem [119393];
Reference of Component-Ingredient Pair	6536152

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC2946
Formula: C3H9N

Common Name	Propeimine
IUPAC Name	propan-1-amine
Canonical SMILES	CCC[NH3+]
Standard InCHI	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/p+1
Standard InCHIKey	WGYKZJWCGVVSQN-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL14409]; PubChem [7852];
Reference of Component-Ingredient Pair	22925120

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Ingredient ID: TCMC2866
Formula: C11H10BrN5

Common Name	Baimonidine
IUPAC Name	5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Canonical SMILES	Brc1c(ccc2c1nccn2)N[C+]1=NCCN1
Standard InCHI	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)/q+1
Standard InCHIKey	RQFQKWZRHXLRAX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL844]; PubChem [2435];
Reference of Component-Ingredient Pair	22346120

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2596	Fritillaria verticillata	Zhe Bei Mu	浙贝母

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2866	C11H10BrN5	Baimonidine	291.0119574	-0.1999	2.01	1.648	5	2	62.2	2	3	17	0
TCMC2946	C3H9N	Propeimine	60.08132432	-1.669	1.68	0.749	0	1	27.64	1	0	4	0
TCMC3425	C39H63NO10	Solanidine-3-O-Α-L-Rhamnopyranosyl-(1→2)-Β-D-Glucopyranoside	706.4530222	-3.9228	4.54	4.042	10	7	162.74	5	8	50	1
TCMC3488	C27H45NO3	Peimine	432.3477693	-3.4367	3.99	4.265	3	4	65.13	0	6	31	0
TCMC3547	C27H45NO3	Isobaimonidine	432.3477693	-3.4367	3.99	4.265	3	4	65.13	0	6	31	0
TCMC3593	C27H41NO3	Ebeiensine,Peimisine	428.3164692	-0.8556	3.99	2.736	3	2	63.14	0	6	31	0
TCMC3629	C27H43NO3	Peiminine,Simperialine	430.3321193	-3.2492	3.99	3.852	3	3	61.97	0	6	31	0
TCMC3672	C27H41NO2	Ebeinone	412.3215546	-2.0427	4.1	3.547	2	2	41.74	0	6	30	0
TCMC4087	C20H30O2	Communol	301.2167552	1.7158	3.44	5.926	2	0	40.13	4	2	22	1
TCMC4222	C20H32O	Kaur-15-En-17-Ol	288.2453156	1.0594	3.55	6.999	1	1	20.23	1	4	21	1
TCMC4427	C18H32O3	Β-Dimorphecolic Acid	295.2273199	-2.743	3.11	5.448	3	1	60.36	14	0	21	2
TCMC4475	C21H32O2	Trans-Communic Acid Methyl Ester	316.2402303	2.6446	3.55	6.728	2	0	26.3	5	2	23	1
TCMC4476	C20H32O	Trans-Communol	288.2453156	2.1847	3.55	6.714	1	1	20.23	4	2	21	1
TCMC4563	C27H43NO2	Fritillarizine	414.3372046	-2.7341	4.1	4.874	2	3	44.9	0	6	30	0
TCMC5174	C34H49N5O6	Apicidin	623.3682843	-5.3944	3.99	4.974	9	3	138.84	12	4	45	1
TCMC5452	C27H43NO2	Zhebeirine	414.3372046	-2.8101	4.1	4.973	2	2	41.74	0	6	30	0
TCMC5873	C20H34O2	Ent-Kauran-16Α,17-Diol	306.2558803	0.3632	3.44	6.525	2	2	40.46	1	4	22	1
TCMC5874	C19H30O	Ent-17-Norkauran-16-One	274.2296656	1.1683	3.44	6.827	1	0	17.07	0	4	20	1
TCMC6006	C20H34O2	Ent-Kauran-16Β,17-Diol	306.2558803	0.3632	3.44	6.525	2	2	40.46	1	4	22	1
TCMC6311	C18H32O3	9-Hydroxy-10E,12Z-Octadecadienoic Acid	295.2273199	-2.743	3.11	5.448	3	1	60.36	14	0	21	2
TCMC6341	C33H55NO8	Peiminoside	594.4005928	-5.1836	4.1	3.157	8	7	144.28	3	7	42	1
TCMC6361	C27H45NO3	Zhebeinine	432.3477693	-3.4367	3.99	4.265	3	4	65.13	0	6	31	0
TCMC6384	C27H45NO3	Isoverticine	432.3477693	-3.4367	3.99	4.265	3	4	65.13	0	6	31	0
TCMC6395	C40H67NO11	Hapepunine 3-O-Α-L-Rhamnosyl-(1→2)-Β-D-Glucopyranoside	738.479237	-4.2808	4.54	3.543	11	8	182.97	7	7	52	2
TCMC6528	C20H32O	Ent-16Β,17-Epoxy-Kaurane	288.2453156	1.1297	3.55	7.543	1	0	12.53	0	5	21	1
TCMC6529	C21H36O2	Ent-16Α-Methoxy-Kauran-17-Ol	320.2715304	0.7717	3.55	7.044	2	1	29.46	2	4	23	1
TCMC6530	C20H32O	Ent-Kaur-15-En-17-Ol	288.2453156	1.0594	3.55	6.999	1	1	20.23	1	4	21	1
TCMC7314	C27H43NO3	Zhebeinone	430.3321193	-3.2492	3.99	3.852	3	3	61.97	0	6	31	0
TCMC7363	C28H47NO2	Hapepunine	430.3685048	-1.287	4.21	5.485	2	3	44.9	2	5	31	1

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: Fritillaria verticillata 浙贝母

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: TCMC7363

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7314

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6530

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6529

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6528

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6395

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6384

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6361

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6341

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6311

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6006

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5874

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5873

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5452

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5174

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4563

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4476

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4475

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4427

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4222

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4087

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3672

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3629

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3593

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3547

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3488

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3425

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2946

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2866

Occurrence of the ingredient across TCM components

Properties