acompound

Showing entry for Nimbin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014662
Compound Name	Nimbin
Structure
Formula	C30H36O9
InchiKey	NHOIBRJOQAYBJT-IMGVWCFESA-N
SMILES	COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@H]3C2=C(C)[C@@H](C3)c2cocc2)[C@@H]([C@@H]2[C@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC)OC(=O)C
Inchi	InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
IUPAC
Molecular Weight	540.24
Pubchem Id	108058
Chembl Id	CHEMBL1774397

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	BXGT007991	Macrophage migration inhibitory factor	reviewed		MIF	-	17500	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02025	Phalaenopsis schilleriana	Phalaenopsis schilleriana	Others
BXGF03005	Centaurea sinaica	Centaurea sinaica	Others
BXGF03781	Melochia corchorifolia	Melochia corchorifolia	Medicinal Plant
BXGF04188	Walsura piscidia	Walsura piscidia	Medicinal Plant
BXGF05162	Melia indica	Melia indica	Medicinal Plant
BXGF05271	Azadirachta indica	Azadirachta indica	Medicinal Plant
BXGF05494	Chisocheton ceramicus	Chisocheton ceramicus	Others
BXGF05803	Goniothalamus giganteus	Goniothalamus giganteus	Medicinal Plant
BXGF05897	Cleome pungens	Cleome pungens	Others
BXGF05989	Marcetella moquiniana	Marcetella moquiniana	Others
BXGF06091	Stachys palustris	Stachys palustris	Medicinal Plant
BXGF06178	Daphniphyllum angustifolium	Daphniphyllum angustifolium	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}