acompound

Showing entry for 17,24-Epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035995
Compound Name	17,24-Epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one
Structure
Formula	C29H48O4
InchiKey	NNNRTJSRGAXLIH-MTSNUVQISA-N
SMILES	O=C1CC[C@]2([C@@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@]1([C@@H]2O[C@@H](CC1)C(O)(C)C)O)C)C
Inchi	InChI=1S/C29H48O4/c1-24(2)19-10-14-28(7)20(26(19,5)13-11-21(24)30)9-8-18-23-29(32,17-16-27(18,28)6)15-12-22(33-23)25(3,4)31/h18-20,22-23,31-32H,8-17H2,1-7H3/t18-,19-,20-,22+,23-,26+,27-,28-,29-/m1/s1
IUPAC
Molecular Weight	460.36
Pubchem Id	50901039
Chembl Id	CHEMBL1651032

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

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
reviewed	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	-	>20000	-	-

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
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'>'	20000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05959	Aglaia foveolata	Aglaia foveolata	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}