acompound

Showing entry for 3-Beta-Hydroxy-27-P-(Z)-Coumaroyloxyolean-12-En-28-Oic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046312
Compound Name	3-Beta-Hydroxy-27-P-(Z)-Coumaroyloxyolean-12-En-28-Oic Acid
Structure
Formula	C39H54O5
InchiKey	MJZYILIXAGAWLU-QDPBTVMJSA-N
SMILES	O=C(C[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)CC(CC3)(C)C)C(=O)O)/C=C\c1ccc(cc1)O
Inchi	InChI=1S/C39H54O5/c1-34(2)19-20-38(33(43)44)21-22-39(23-27(41)12-9-25-7-10-26(40)11-8-25)28(29(38)24-34)13-14-31-36(5)17-16-32(42)35(3,4)30(36)15-18-37(31,39)6/h7-13,29-32,40,42H,14-24H2,1-6H3,(H,43,44)/b12-9-/t29-,30-,31+,32-,36-,37+,38-,39-/m0/s1
IUPAC	(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[(Z)-4-(4-hydroxyphenyl)-2-oxobut-3-enyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	602.4
Pubchem Id	44583697
Chembl Id	CHEMBL509592

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P19174	BXGT008467	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed	Enzyme	PLCG1	IC50	'='	27700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}