acompound

Showing entry for darutigenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049118
Compound Name	darutigenol
Structure
Formula	C20H34O3
InchiKey	NCAZLDCEJHFJDT-KHKZNYETSA-N
SMILES	OC[C@@H]([C@@]1(C)CC[C@@H]2C(=C1)CC[C@H]1[C@@]2(C)CC[C@H](C1(C)C)O)O
Inchi	InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
IUPAC	(1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Molecular Weight	322.25
Pubchem Id	3037565
Chembl Id	CHEMBL1076911

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
P00742	BXGT005636	Coagulation factor X	reviewed	Enzyme	F10	IC50	'='	11418	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02031	Scopolia tangutica	Scopolia tangutica	Others
BXGF04230	Sigesbeckia pubescens	Sigesbeckia pubescens	Others
BXGF04768	Sigesbeckia glabrescens	Sigesbeckia glabrescens	Medicinal Plant
BXGF04945	Lonchocarpus yucatanensis	Lonchocarpus yucatanensis	Others
BXGF05727	Cardopatium corymbosum	Cardopatium corymbosum	Others
BXGF05780	Sidastrum tehuacanum	Sidastrum tehuacanum	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}