acompound

Showing entry for 2-[1-(4,7-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043167
Compound Name	2-[1-(4,7-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15
Structure
Formula	C28H38O6
InchiKey	HMVXQIAJBGENDJ-MHYIOVDWSA-N
SMILES	O[C@H]1C=C2[C@@H](O)C=CC(=O)[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@@]1(C)CC2)[C@]([C@H]1CC(=C(C(=O)O1)C)C)(O)C)C
Inchi	InChI=1S/C28H38O6/c1-14-12-23(34-25(32)15(14)2)28(5,33)21-8-6-16-24-17(10-11-26(16,21)3)27(4)18(13-20(24)30)19(29)7-9-22(27)31/h7,9,13,16-17,19-21,23-24,29-30,33H,6,8,10-12H2,1-5H3/t16-,17-,19-,20-,21-,23+,24-,26-,27+,28+/m0/s1
IUPAC	(2R)-2-[(1R)-1-[(4S,7R,8S,9S,10R,13S,14S,17S)-4,7-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Molecular Weight	470.27
Pubchem Id	21679020
Chembl Id	CHEMBL463443

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
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	0	uM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CQ	'='	2	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04397	Iochroma australe	Iochroma australe	Others

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}