TCM-ID Component

Component: Akebia quinata 八月扎

Description of the Component

Component ID	TCMH39
Latin Name	Akebia quinata
English Name	fruit of fiveleaf akebia
Chinese Pinyin Name	Ba Yue Zha
中文名	八月扎
TCM Properties	Cold,Bitter
TCM Meridians
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	regulate the flow of the liver qi, promote blood circulation and relieve pain, and cause diuresis
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Classical Prescriptions
Barcode ID	ITSAJ4440-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2347	Tumor Desovling Decoction

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
TCMT1251	Candida albicans
TCMT1458	Filobasidiella neoformans

Ingredient Structrues

Ingredient ID: TCMC2479
Formula: C41H66O12

Common Name	Alpha-Hederin
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
Standard InCHIKey	KEOITPILCOILGM-LLJOFIFVSA-N
External Identifiers	ChEMBL [CHEMBL447565]; PubChem [73296];
Reference of Component-Ingredient Pair	14765305

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH39	Akebia quinata	Ba Yue Zha	八月扎
TCMH109	Pulsatilla chinensis	Bai Tou Weng	白头翁
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2479	C41H66O12	Alpha-Hederin	750.46	-1.444	4.65	6.221	12	7	195.6	20	7	53	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.)