TCM-ID Component

Description of the Component

Component ID	TCMH1073
Latin Name	Gynostemma pentaphyllum
English Name	Fiveleaf gynostemma
Chinese Pinyin Name	Jiao Gu Lan
中文名	绞股蓝
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	Shaanxi Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4253-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3731	Fo Shou Capsules	福寿胶囊
TCMFx831	Jiang Huang Xiao Cuo Cha Ji	姜黄消痤搽剂
TCMF835	Yang Zheng Xiao Ji Capsule	养正消积胶囊
TCMF1007	Yin Dan Xin Nao Tong Ruan Capsule	银丹心脑通软胶囊

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT191	STAT3	Signal transducer and activator of transcription 3	Transcription factor	P40763
TCMT197	PDE4D	Phosphodiesterase 4D	Hydrolase	Q08499
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT281	DPP4	Dipeptidyl peptidase IV	Unclassified	P27487
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT588	DAO	D-amino-acid oxidase	Oxidoreductase	P14920
TCMT598	TOP1	DNA topoisomerase I	Isomerase	P11387
TCMT96	LDHA	L-lactate dehydrogenase A chain	Oxidoreductase	P00338

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1099	Neuraminidase
TCMT1172	Staphylococcus aureus subsp. aureus RN4220
TCMT1218	Staphylococcus aureus
TCMT1246	Escherichia coli
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC55
Formula: C30H48O4

Common Name	(20S,23S)-3Beta,20-Dihydroxyldammarane-24-Ene-21-Oic Acid-21,23-Lactone
IUPAC Name	(3S,5S)-3-hydroxy-3-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one
Canonical SMILES	CC(=C[C@H]1OC(=O)[C@@](C1)(O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
Standard InCHI	InChI=1S/C30H48O4/c1-18(2)16-19-17-30(33,25(32)34-19)21-10-14-28(6)20(21)8-9-23-27(5)13-12-24(31)26(3,4)22(27)11-15-29(23,28)7/h16,19-24,31,33H,8-15,17H2,1-7H3/t19-,20-,21+,22+,23-,24+,27+,28-,29-,30+/m1/s1
Standard InCHIKey	UVWSKJGMKBMOEV-OVFYZRPFSA-N
External Identifiers	ChEMBL [CHEMBL2313418]; PubChem [60201376];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC54
Formula: C30H52O3

Common Name	(20S)-Protopanaxadiol
IUPAC Name	(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Canonical SMILES	CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(O)C)C
Standard InCHI	InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
Standard InCHIKey	PYXFVCFISTUSOO-HKUCOEKDSA-N
External Identifiers	ChEMBL [CHEMBL375563]; PubChem [11213350];
Reference of Component-Ingredient Pair	29607527

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
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
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶

Ingredient ID: TCMC53
Formula: C30H52O3

Common Name	(20S)-Dammarane-24(25)-Ene-3Beta,20,21-Tetrol
IUPAC Name	(2S)-2-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-ene-1,2-diol
Canonical SMILES	OC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(CCC=C(C)C)O
Standard InCHI	InChI=1S/C30H52O3/c1-20(2)9-8-15-30(33,19-31)22-12-17-28(6)21(22)10-11-24-27(5)16-14-25(32)26(3,4)23(27)13-18-29(24,28)7/h9,21-25,31-33H,8,10-19H2,1-7H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1
Standard InCHIKey	ARYNZYKWUXIZOG-AYHBXSNGSA-N
External Identifiers	ChEMBL [CHEMBL2313414]; PubChem [60201377];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC52
Formula: C30H48O4

Common Name	(20R,23R)-3Beta,20-Dihydroxyldammarane-24-Ene-21-Oic Acid-21,23-Lactone
IUPAC Name	(3R,5R)-3-hydroxy-3-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one
Canonical SMILES	CC(=C[C@@H]1OC(=O)[C@](C1)(O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
Standard InCHI	InChI=1S/C30H48O4/c1-18(2)16-19-17-30(33,25(32)34-19)21-10-14-28(6)20(21)8-9-23-27(5)13-12-24(31)26(3,4)22(27)11-15-29(23,28)7/h16,19-24,31,33H,8-15,17H2,1-7H3/t19-,20+,21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
Standard InCHIKey	UVWSKJGMKBMOEV-NYBHINJWSA-N
External Identifiers	ChEMBL [CHEMBL2313419]; PubChem [71717335];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC440
Formula: C23H38O3

Common Name	3Beta-Hydroxyetio-17Beta-Dammaranic Acid
IUPAC Name	(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Canonical SMILES	OC(=O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C
Standard InCHI	InChI=1S/C23H38O3/c1-20(2)16-9-13-23(5)17(21(16,3)11-10-18(20)24)7-6-15-14(19(25)26)8-12-22(15,23)4/h14-18,24H,6-13H2,1-5H3,(H,25,26)/t14-,15+,16-,17+,18-,21-,22+,23+/m0/s1
Standard InCHIKey	PTSOMORPIOAPGG-CSNGNCMSSA-N
External Identifiers	ChEMBL [CHEMBL2313420]; PubChem [71716739];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC2233
Formula: C21H20O10

Common Name	Vitexin
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Canonical SMILES	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O
Standard InCHI	InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
Standard InCHIKey	SGEWCQFRYRRZDC-VPRICQMDSA-N
External Identifiers	ChEMBL [CHEMBL487417]; PubChem [5280441];
Reference of Component-Ingredient Pair	22475010

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1673	Gentiana macrophylla	Qin Jiao	秦艽
TCMH733	Desmodium styracifolium	Guang Jin Qian Cao	广金钱草
TCMH1674	Gentiana straminea	Qin Jiao Hua	秦艽花
TCMH2306	Buxus microphylla	Xiao Ye Huang Yang	小叶黄杨
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	南板蓝根浸膏粉
TCMH1380	Humulus japonicus	Lv Cao	葎草
TCMH2696	Phyllostachys nigra	Zhu Ye	竹叶
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	盐胡芦巴
TCMH2436	Elaeagnus pungens	Yang Nai Nai Ye	羊奶奶叶
TCMH1409	Cannabis sativa	Ma Ren	麻仁
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝
TCMH420	Lophatherum gracile	Dan Zhu Ye	淡竹叶
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH255	Vigna angularis	Chi Dou	赤豆
TCMH1735	Kummerowia striata	Ren Zi Cao	人字草
TCMH1854	Crataegi folium	Shan Zha Ye	山楂叶
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1452	Gerbera piloselloides	Mao Da Ding Cao	毛大丁草
TCMH980	Clausena lansium	Huang Pi Ye	黄皮叶
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH1660	Senecio scandens	Qian Li Guang	千里光
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH906	Viscum coloratum	Hu Ji Sheng	槲寄生
TCMH2110	Lespedeza cuneata	Tie Sao Zhou	铁扫帚
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH918	Elaeagnus pungens	Hu Tui Zi Ye	胡颓子叶
TCMH483	Kummerowia striata	Ding Kui Cao	丁葵草
TCMH1039	Kummerowia striata	Ji Yan Cao	鸡眼草
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH473	Phyllostachys nigra	Dian Zhu Ye	滇竹叶
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	南板蓝根
TCMH92	Gerbera piloselloides	Bai Mei	白眉
TCMH1005	Cannabis sativa	Huo Ma Ren	火麻仁

Ingredient ID: TCMC2169
Formula: C16H18O4

Common Name	Toddaculin
IUPAC Name	5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Canonical SMILES	COc1cc2oc(=O)ccc2c(c1CC=C(C)C)OC
Standard InCHI	InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
Standard InCHIKey	KRQHZFHWEAJPNO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3235996]; PubChem [5321960];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1791
Formula: C17H14O7

Common Name	Ombuine
IUPAC Name	3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)OC
Standard InCHI	InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
Standard InCHIKey	BWORNNDZQGOKBY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL75589]; PubChem [5320287];
Reference of Component-Ingredient Pair	24853321

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝
TCMH526	Eucommia ulmoides	Du Zhong Ye	杜仲叶
TCMH2044	Caesalpinia sappan	Su Mu	苏木
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH525	Eucommia ulmoides	Du Zhong Tan	杜仲炭
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

Ingredient ID: TCMC1681
Formula: C42H70O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@]([C@H]3CC[C@@]4([C@@H]3[C@H](O)C[C@H]3[C@@]4(C)CC[C@@H]4[C@]3(C)C[C@@H](O)[C@@H](C4(C)C)O)C)(CCC(=O)C(=C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C42H70O15/c1-19(2)21(44)10-14-42(8,57-37-34(52)32(50)30(48)25(56-37)18-54-36-33(51)31(49)29(47)24(17-43)55-36)20-9-12-41(7)28(20)22(45)15-27-39(5)16-23(46)35(53)38(3,4)26(39)11-13-40(27,41)6/h20,22-37,43,45-53H,1,9-18H2,2-8H3/t20-,22+,23+,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39-,40+,41+,42-/m0/s1
Standard InCHIKey	VHAOZWPEPOPZFA-SDTZFMSQSA-N
External Identifiers	ChEMBL [CHEMBL3581710];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1680
Formula: C54H90O24

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC(=O)C(=C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C54H90O24/c1-21(2)24(57)11-15-54(9,78-48-43(70)39(66)36(63)29(75-48)20-71-46-41(68)37(64)33(60)22(3)72-46)23-10-13-53(8)32(23)25(58)16-31-51(6)17-26(59)45(50(4,5)30(51)12-14-52(31,53)7)77-49-44(40(67)35(62)28(19-56)74-49)76-47-42(69)38(65)34(61)27(18-55)73-47/h22-23,25-49,55-56,58-70H,1,10-20H2,2-9H3/t22-,23-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
Standard InCHIKey	RKMLZLOLTFLUQX-OVZYVKQASA-N
External Identifiers	ChEMBL [CHEMBL3581709];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1637
Formula: C42H70O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@]([C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@@H](C2(C)C)O)C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)CCC(=O)C(=C)C
Standard InCHI	InChI=1S/C42H70O14/c1-19(2)22(43)11-15-42(9,56-37-34(51)32(49)30(47)25(55-37)18-53-36-33(50)31(48)29(46)20(3)54-36)21-10-13-41(8)28(21)23(44)16-27-39(6)17-24(45)35(52)38(4,5)26(39)12-14-40(27,41)7/h20-21,23-37,44-52H,1,10-18H2,2-9H3/t20-,21-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,39-,40+,41+,42-/m0/s1
Standard InCHIKey	DZHYECDDAAWKHM-VHFHZVDJSA-N
External Identifiers	ChEMBL [CHEMBL3581712]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1529
Formula: C3H4O4

Common Name	Malonic Acid
IUPAC Name	propanedioic acid
Canonical SMILES	OC(=O)CC(=O)O
Standard InCHI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Standard InCHIKey	OFOBLEOULBTSOW-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL7942]; PubChem [867];
Reference of Component-Ingredient Pair	22987122

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1430	Hordeum vulgare	Mai Ya	麦芽
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
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

Ingredient ID: TCMC1307
Formula: C32H50O5

Common Name	Gypensapogenin G
IUPAC Name	[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-(2-hydroxy-2-methylpropyl)-5-oxo-2H-furan-4-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]2C1=C[C@@H](OC1=O)CC(O)(C)C)C)C
Standard InCHI	InChI=1S/C32H50O5/c1-19(33)36-26-13-14-30(6)24(29(26,4)5)12-16-32(8)25(30)10-9-23-21(11-15-31(23,32)7)22-17-20(37-27(22)34)18-28(2,3)35/h17,20-21,23-26,35H,9-16,18H2,1-8H3/t20-,21-,23-,24+,25-,26+,30+,31-,32-/m1/s1
Standard InCHIKey	ZLAWDYMKBWCNPW-PDBGKUALSA-N
External Identifiers	ChEMBL [CHEMBL2313423]; PubChem [71517218];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1306
Formula: C30H48O4

Common Name	Gypensapogenin E
IUPAC Name	(2S)-2-(2-hydroxy-2-methylpropyl)-4-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Canonical SMILES	O=C1O[C@H](C=C1[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)CC(O)(C)C
Standard InCHI	InChI=1S/C30H48O4/c1-26(2,33)17-18-16-20(25(32)34-18)19-10-14-29(6)21(19)8-9-23-28(5)13-12-24(31)27(3,4)22(28)11-15-30(23,29)7/h16,18-19,21-24,31,33H,8-15,17H2,1-7H3/t18-,19-,21-,22+,23-,24+,28+,29-,30-/m1/s1
Standard InCHIKey	QDAUOBHGLHSXJU-CFJKEVLMSA-N
External Identifiers	ChEMBL [CHEMBL2313421]; PubChem [71517216];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1305
Formula: C30H46O2

Common Name	Gypensapogenin C
IUPAC Name	2-[(3S,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-propan-2-ylidenecyclopent-2-en-1-one
Canonical SMILES	CC(=C1CC=C(C1=O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
Standard InCHI	InChI=1S/C30H46O2/c1-18(2)19-8-9-21(26(19)32)20-12-16-29(6)22(20)10-11-24-28(5)15-14-25(31)27(3,4)23(28)13-17-30(24,29)7/h9,20,22-25,31H,8,10-17H2,1-7H3/t20-,22-,23+,24-,25+,28+,29-,30-/m1/s1
Standard InCHIKey	PTTPQVVXFQBCKP-WDKNXSKUSA-N
External Identifiers	ChEMBL [CHEMBL1951709]; PubChem [57395175];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1304
Formula: C30H42O2

Common Name	Gypensapogenin B
IUPAC Name	n.a.
Canonical SMILES	CC(=C1CC(=CC1=O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CCC2=C1[C@H]1CC[C@H](O1)C2(C)C)C)C
Standard InCHI	InChI=1S/C30H42O2/c1-17(2)20-15-18(16-24(20)31)19-11-13-29(5)21(19)7-8-23-27-22(12-14-30(23,29)6)28(3,4)26-10-9-25(27)32-26/h16,19,21,23,25-26H,7-15H2,1-6H3/t19-,21-,23-,25-,26+,29-,30-/m1/s1
Standard InCHIKey	NNUMQZNZQGQGCN-AGHUFMIKSA-N
External Identifiers	ChEMBL [CHEMBL1951708]; PubChem [57400364];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Ingredient ID: TCMC1303
Formula: C30H42O2

Common Name	Gypensapogenin A
IUPAC Name	n.a.
Canonical SMILES	CC(=C1CC=C(C1=O)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CCC2=C1[C@H]1CC[C@H](O1)C2(C)C)C)C
Standard InCHI	InChI=1S/C30H42O2/c1-17(2)18-7-8-20(27(18)31)19-13-15-29(5)21(19)9-10-23-26-22(14-16-30(23,29)6)28(3,4)25-12-11-24(26)32-25/h8,19,21,23-25H,7,9-16H2,1-6H3/t19-,21-,23-,24-,25+,29-,30-/m1/s1
Standard InCHIKey	PYGRZYXAMLFMOS-IBMFSSKUSA-N
External Identifiers	ChEMBL [CHEMBL1951707]; PubChem [57403926];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	绞股蓝

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC52	C30H48O4	(20R,23R)-3Beta,20-Dihydroxyldammarane-24-Ene-21-Oic Acid-21,23-Lactone	472.36	2.4646	4.32	8.618	4	2	66.76	11	5	34	1
TCMC53	C30H52O3	(20S)-Dammarane-24(25)-Ene-3Beta,20,21-Tetrol	460.39	2.413	4.43	8.705	3	3	60.69	15	4	33	1
TCMC54	C30H52O3	(20S)-Protopanaxadiol	460.39	2.5349	4.43	7.963	3	3	60.69	15	4	33	1
TCMC55	C30H48O4	(20S,23S)-3Beta,20-Dihydroxyldammarane-24-Ene-21-Oic Acid-21,23-Lactone	472.36	2.4646	4.32	8.618	4	2	66.76	11	5	34	1
TCMC440	C23H38O3	3Beta-Hydroxyetio-17Beta-Dammaranic Acid	362.28	1.4611	3.66	7.131	3	2	57.53	8	4	26	1
TCMC1303	C30H42O2	Gypensapogenin A	434.32	3.149	4.54	6.665	2	0	26.3	7	6	32	1
TCMC1304	C30H42O2	Gypensapogenin B	434.32	3.1773	4.54	6.546	2	0	26.3	7	6	32	1
TCMC1305	C30H46O2	Gypensapogenin C	438.35	3.5015	4.54	8.901	2	1	37.3	9	5	32	1
TCMC1306	C30H48O4	Gypensapogenin E	472.36	2.3314	4.32	8.751	4	2	66.76	12	5	34	1
TCMC1307	C32H50O5	Gypensapogenin G	514.37	2.7105	4.43	9.491	5	1	72.83	14	5	37	1
TCMC1529	C3H4O4	Malonic Acid	104.01	-0.4448	1.35	-0.299	4	2	74.6	4	0	7	0
TCMC1637	C42H70O14		798.48	-1.5685	4.54	3.703	14	9	236.06	27	6	56	2
TCMC1680	C54H90O24		1122.58	-5.0623	4.76	0.629	24	15	394.36	39	8	78	3
TCMC1681	C42H70O15		814.47	-2.0685	4.43	3	15	10	256.29	28	6	57	3
TCMC1791	C17H14O7	Ombuine	330.07	-1.9842	2.56	1.99	2	3	105.45	8	3	24	0
TCMC2169	C16H18O4	Toddaculin	274.12	2.0438	2.78	3.077	1	0	44.76	8	2	20	0
TCMC2233	C21H20O10	Vitexin	432.11	-4.1202	2.67	-0.508	6	7	177.14	10	4	31	1

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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: Gynostemma pentaphyllum 绞股蓝

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: TCMC55

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC54

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC53

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC52

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC440

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2233

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2169

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1791

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1681

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1680

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1637

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1529

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1307

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1306

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1305

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1304

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1303

Occurrence of the ingredient across TCM components

Properties

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