acompound

Showing entry for Acetic Acid17-(1-Dimethylamino-Ethyl)-10,13-Dimethyl-3-(3-Methyl-But-2-Enoylamino)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Yl Ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044808
Compound Name	Acetic Acid17-(1-Dimethylamino-Ethyl)-10,13-Dimethyl-3-(3-Methyl-But-2-Enoylamino)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Yl Ester
Structure
Formula	C30H48N2O3
InchiKey	SYWAOYCXRQDRLP-VLNZMSLLSA-N
SMILES	CC(=O)O[C@H]1[C@H](CC[C@]2(C1CC[C@@H]1[C@@H]2CC[C@]2(C1CC=C2[C@@H](N(C)C)C)C)C)N=C(C=C(C)C)O
Inchi	InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23?,24-,25?,26-,28+,29+,30+/m0/s1
IUPAC	[(3S,4R,8R,9S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Molecular Weight	484.37
Pubchem Id	44358273
Chembl Id	CHEMBL139630

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	5248	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04506	Sarcococca saligna	Sarcococca saligna	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}