acompound

Showing entry for (3S,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-7,17-Dione

General Compound Information
BXGC Id	BXGC0016996
Compound Name	(3S,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-7,17-Dione
Structure
Formula	C19H28O3
InchiKey	ONVVZSHYQMOXLN-ZVMDJWLLSA-N
SMILES	O[C@H]1CC[C@]2([C@H](C1)CC(=O)[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Inchi	InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13+,14+,17+,18+,19+/m1/s1
IUPAC	(3S,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
Molecular Weight	304.2
Pubchem Id	11954160
Chembl Id	CHEMBL3391757

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

CHEMBL3391757

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
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
Q13671	BXGT013391	Ras and Rab interactor 1	reviewed	Enzyme modulator	RIN1	IC50	'='	33758	nM
P00519	BXGT005570	Tyrosine-protein kinase ABL1	reviewed	Kinase	ABL1	IC50	'='	33758	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00874	Castanopsis hystrix	Castanopsis hystrix	Medicinal Plant
BXGF00965	Othonna cylindrica	Othonna cylindrica	Others
BXGF01103	Euclea natalensis	Euclea natalensis	Medicinal Plant
BXGF01191	Artemisia laciniata	Artemisia laciniata	Medicinal Plant
BXGF01195	Callitris macleayana	Callitris macleayana	Others
BXGF01238	Morus australis	Morus australis	Medicinal Plant
BXGF01288	Sicana odorifera	Sicana odorifera	Human Edible Plant
BXGF01484	Othonna intermedia	Othonna intermedia	Others
BXGF01523	Trichoscypha acuminata	Trichoscypha acuminata	Human Edible Plant
BXGF01567	Gaillardia tontalensis	Gaillardia tontalensis	Others
BXGF01602	Thalictrum fauriei	Thalictrum fauriei	Others
BXGF01694	Luvunga scandens	Luvunga scandens	Medicinal Plant
BXGF01791	Uraria picta	Uraria picta	Medicinal Plant
BXGF01845	Senecio taiwanensis	Senecio taiwanensis	Others
BXGF01919	Pityrodia ternifolia	Pityrodia ternifolia	Others
BXGF02008	Acronychia acidula	Acronychia acidula	Human Edible Plant
BXGF02034	Erlangea cordifolia	Erlangea cordifolia	Others
BXGF02083	Strychnos panamensis	Strychnos panamensis	Others
BXGF02105	Bupleurum aureum	Bupleurum aureum	Others
BXGF02127	Spiraea formosa	Spiraea formosa	Others
BXGF02145	Goupia tomentosa	Goupia tomentosa	Others
BXGF02162	Aglaia cordata	Aglaia cordata	Others
BXGF02331	Syringa pubescens subsp. patula	Syringa pubescens subsp. patula	Others
BXGF02670	Eupatorium recurvans	Eupatorium recurvans	Others
BXGF03679	Bridelia moonii	Bridelia moonii	Others
BXGF03948	Salicornia herbacea	Salicornia herbacea	Human Edible Plant
BXGF04186	Sorbus coronata	Sorbus coronata	Others
BXGF04388	Nephrolepis biserrata	Nephrolepis biserrata	Medicinal Plant
BXGF04419	Pteris plumbea	Pteris plumbea	Others
BXGF05252	Michelia longifolia	Michelia longifolia	Others
BXGF05418	Ligusticum lucidum	Ligusticum lucidum	Others
BXGF05774	Psiadia arabica	Psiadia arabica	Others
BXGF05918	Euonymus atropurpurea	Euonymus atropurpurea	Others
BXGF06058	Helichrysum zeyheri	Helichrysum zeyheri	Human Edible Plant
BXGF06164	Herbertus aduncus	Herbertus aduncus	Others
BXGF06246	Suaeda salsa	Suaeda salsa	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}