acompound

Showing entry for 24-Methylenecycloartane-3beta,25-diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045428
Compound Name	24-Methylenecycloartane-3beta,25-diol
Structure
Formula	C31H52O2
InchiKey	WXYNTJQRYPFIJD-CHIINMNOSA-N
SMILES	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)CCC(=C)C(O)(C)C
Inchi	InChI=1S/C31H52O2/c1-20(9-10-21(2)27(5,6)33)22-13-15-29(8)24-12-11-23-26(3,4)25(32)14-16-30(23)19-31(24,30)18-17-28(22,29)7/h20,22-25,32-33H,2,9-19H2,1,3-8H3/t20-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1
IUPAC
Molecular Weight	456.4
Pubchem Id	101226806
Chembl Id	CHEMBL3359356

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Activity	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ratio	'='	4	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02217	Euphorbia fischeriana	Euphorbia fischeriana	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}