acompound

Showing entry for 3-Hydroxylup-20(29)-En-28-Amide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032827
Compound Name	3-Hydroxylup-20(29)-En-28-Amide
Structure
Formula	C30H49NO2
InchiKey	MUWODHNJOGREGP-FZFNOLFKSA-N
SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=N)O
Inchi	InChI=1S/C30H49NO2/c1-18(2)19-10-15-30(25(31)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,28)7/h19-24,32H,1,8-17H2,2-7H3,(H2,31,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
IUPAC	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide
Molecular Weight	455.38
Pubchem Id	10161414
Chembl Id	CHEMBL583224

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	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	-	-	-	>10000

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
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	Efficacy	'='	0	%
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	EC50	'='	0	nM
Q8TDU6	BXGT018814	G-protein coupled bile acid receptor 1	reviewed	G-protein coupled receptor	GPBAR1	EC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01143	Coussarea paniculata	Coussarea paniculata	Others
BXGF01635	Nierembergia hippomanica	Nierembergia hippomanica	Medicinal Plant
BXGF03420	Ophioglossum petiolatum	Ophioglossum petiolatum	Others
BXGF03848	Hymenocallis speciosa	Hymenocallis speciosa	Others
BXGF03863	Oyedaea verbesinoides	Oyedaea verbesinoides	Others
BXGF03925	Hydrocotyle leucocephala	Hydrocotyle leucocephala	Others
BXGF03937	Pyrola calliantha	Pyrola calliantha	Medicinal Plant
BXGF03997	Lonchocarpus salvadorensis	Lonchocarpus salvadorensis	Others
BXGF04021	Solanum berthaultii	Solanum berthaultii	Medicinal Plant
BXGF04741	Astragalus zahlbruckneri	Astragalus zahlbruckneri	Others
BXGF05823	Ligularia pleurocaulis	Ligularia pleurocaulis	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}