acompound

Showing entry for Jervine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053358
Compound Name	Jervine
Structure
Formula	C27H39NO3
InchiKey	CLEXYFLHGFJONT-DNMILWOZSA-N
SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
Inchi	InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
IUPAC	(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Molecular Weight	425.29
Pubchem Id	10098
Chembl Id	CHEMBL186779

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	BXGT009627	C-8 sterol isomerase	reviewed		ERG2	284	-	-	-
reviewed	BXGT013543	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	Enzyme	EBP	>100000	-	-	-
reviewed	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	>100000	-	-	-
reviewed	BXGT013573	Sonic hedgehog protein	reviewed		SHH	-	500	-	-

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
P32352	BXGT009627	C-8 sterol isomerase	reviewed	-	ERG2	Ki	'='	284	nM
Q15125	BXGT013543	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	Enzyme	EBP	Ki	'>'	100000	nM
Q15465	BXGT013573	Sonic hedgehog protein	reviewed	-	SHH	IC50	'='	500	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'>'	100000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-9	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	5	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF02133	Veratrum nigrum	Veratrum nigrum	Medicinal Plant
BXGF04800	Leptactina senegambica	Leptactina senegambica	Others
BXGF04853	Prunus humilis	Prunus humilis	Medicinal Plant
BXGF05261	Artemisia chinensis	Artemisia chinensis	Medicinal Plant
BXGF05362	Veratrum grandiflorum	Veratrum grandiflorum	Medicinal Plant
BXGF06140	Tanacetum parthenium	Tanacetum parthenium	Medicinal Plant
BXGF06328	Garcinia quaesita	Garcinia quaesita	Human Edible 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}