acompound

Showing entry for 30-Norhederagenin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016548
Compound Name	30-Norhederagenin
Structure
Formula	C29H44O4
InchiKey	FKUBIEWSGBVADJ-VZBPFLCRSA-N
SMILES	OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(=C)CC1)C(=O)O)C)C
Inchi	InChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	456.32
Pubchem Id	21596158
Chembl Id	CHEMBL1081326

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	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	28800	-	-

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	28800	nM
Q9UGI9	BXGT021682	5'-AMP-activated protein kinase subunit gamma-3	reviewed	Enzyme modulator	PRKAG3	Activity	-	-	-
Q13131	BXGT013314	5'-AMP-activated protein kinase catalytic subunit alpha-1	reviewed	Kinase	PRKAA1	Activity	-	-	-
Q9Y478	BXGT022271	5'-AMP-activated protein kinase subunit beta-1	reviewed	Kinase	PRKAB1	Activity	-	-	-
Q9UGJ0	BXGT021683	5'-AMP-activated protein kinase subunit gamma-2	reviewed	Enzyme modulator	PRKAG2	Activity	-	-	-
P54619	BXGT011060	5'-AMP-activated protein kinase subunit gamma-1	reviewed	Kinase	PRKAG1	Activity	-	-	-
O43741	BXGT004620	5'-AMP-activated protein kinase subunit beta-2	reviewed	Enzyme modulator	PRKAB2	Activity	-	-	-
P54646	BXGT011062	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	Kinase	PRKAA2	Activity	-	-	-
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01998	Paeonia rockii	Paeonia rockii	Others
BXGF03488	Paeonia suffruticosa	Paeonia suffruticosa	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}