TCM-ID Component

Component: Stauntonia chinensis 野木瓜

Description of the Component

Component ID	TCMH2460
Latin Name	Stauntonia chinensis
English Name	Chinese stauntonvine
Chinese Pinyin Name	Ye Mu Gua
中文名	野木瓜
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
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3752	Gan Mao Kang Capsules	感冒康胶囊
TCMFx884	Qu Shang Xiao Zhong Tincture	祛伤消肿酊
TCMFx6247	Ye Mu Gua Granules	野木瓜颗粒
TCMFx6253	Ye Mu Gua Tablets	野木瓜片
TCMFx6260	Ye Mu Gua Zhu She Oral Liquid	野木瓜注射液

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: TCMC7352
Formula: C51H80O21

Common Name	Yemuoside Ym13
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CCC(=C)C[C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)CC[C@@H](C3(C)C)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O)O)O)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C51H80O21/c1-22-9-14-51(46(64)72-45-39(62)36(59)34(57)28(69-45)21-67-42-38(61)35(58)33(56)27(18-52)68-42)16-15-49(5)23(24(51)17-22)7-8-30-48(4)12-11-31(47(2,3)29(48)10-13-50(30,49)6)70-44-40(63)41(26(54)20-66-44)71-43-37(60)32(55)25(53)19-65-43/h7,24-45,52-63H,1,8-21H2,2-6H3/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,45-,48-,49+,50+,51-/m0/s1
Standard InCHIKey	RIZCKBXBKJOKIK-TZOJKCSYSA-N
External Identifiers	ChEMBL [CHEMBL3800156]; PubChem [127047344];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2460	Stauntonia chinensis	Ye Mu Gua	野木瓜

Ingredient ID: TCMC7283
Formula: C25H30O11

Common Name	Yemuoside Ym1
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC/C=C/c1cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)[C@H](CO)[C@H](O2)c1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C25H30O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h2-5,7-9,15,19-23,25-32H,6,10-11H2,1H3/b3-2+/t15-,19+,20+,21-,22+,23+,25+/m0/s1
Standard InCHIKey	NQHHQUVEHGBXRA-ZQTQYUBJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [102202277];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2460	Stauntonia chinensis	Ye Mu Gua	野木瓜

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC7283	C25H30O11	Yemuoside Ym1	506.1788118	-3.6595	3	-0.066	7	7	178.53	8	4	36	1
TCMC7352	C51H80O21	Yemuoside Ym13	1028.51921	-4.3962	4.76	2.098	21	12	333.67	11	9	72	3

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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.)