acompound

Showing entry for Zerumin A

General Compound Information
BXGC Id	BXGC0050429
Compound Name	Zerumin A
Structure
Formula	C20H30O3
InchiKey	ZAWWSYIDZKWRAI-DTFKRFDDSA-N
SMILES	O=C/C(=C\C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)/CC(=O)O
Inchi	InChI=1S/C20H30O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7-/t16-,17-,20+/m0/s1
IUPAC	(Z)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-formylpent-3-enoic acid
Molecular Weight	318.22
Pubchem Id	11723433
Chembl Id	CHEMBL2332435

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

50429856

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	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	7400	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	10400	-	-

CHEMBL

CHEMBL2332435

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
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	Inhibition	-	-	-
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	7400	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	96	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	10400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00048	Endive	Cichorium endivia	Vegetables
BXGF00922	Kiggelaria africana	Kiggelaria africana	Others
BXGF01527	Perymenium jelskii	Perymenium jelskii	Others
BXGF01534	Rhamnus formosana	Rhamnus formosana	Others
BXGF02097	Guadua angustifolia	Guadua angustifolia	Others
BXGF02546	Senna didymobotrya	Senna didymobotrya	Medicinal Plant
BXGF02550	Curcuma heyneana	Curcuma heyneana	Medicinal Plant
BXGF02975	Phenax angustifolius	Phenax angustifolius	Others
BXGF03311	Prunus mahaleb	Prunus mahaleb	Medicinal Plant
BXGF03641	Potentilla candicans	Potentilla candicans	Others
BXGF03857	Gaertnera morindoides	Gaertnera morindoides	Others
BXGF03880	Celastrus dispermus	Celastrus dispermus	Others
BXGF03949	Viburnum betulifolium	Viburnum betulifolium	Others
BXGF03994	Cerbera odollam	Cerbera odollam	Others
BXGF04017	Coelogyne flavida	Coelogyne flavida	Others
BXGF04029	Lupinus luteus	Lupinus luteus	Medicinal Plant
BXGF04039	Hedychium coronarium	Hedychium coronarium	Medicinal Plant
BXGF04050	Aquilegia viridiflora	Aquilegia viridiflora	Others
BXGF04084	Trichilia havanensis	Trichilia havanensis	Others
BXGF04091	Senecio ruwenzoriensis	Senecio ruwenzoriensis	Others
BXGF04102	Strychnos elaeocarpa	Strychnos elaeocarpa	Others
BXGF04116	Tripterospermum lanceolatum	Tripterospermum lanceolatum	Others
BXGF04124	Acacia linarioides	Acacia linarioides	Others
BXGF04131	Rhamnus cathartica	Rhamnus cathartica	Medicinal Plant
BXGF04161	Strychnos wallichiana	Strychnos wallichiana	Others
BXGF04180	Brombya platynema	Brombya platynema	Others
BXGF04228	Piptadenia colubrina	Piptadenia colubrina	Others
BXGF04243	Jaborosa leucotricha	Jaborosa leucotricha	Others
BXGF04245	Astragalus kabadianus	Astragalus kabadianus	Others
BXGF04275	Spiraea formosana	Spiraea formosana	Others
BXGF04289	Daphne arisanensis	Daphne arisanensis	Others
BXGF04304	Lippia adoensis	Lippia adoensis	Human Edible Plant
BXGF04313	Clinopodium gracile	Clinopodium gracile	Others
BXGF04319	Guettarda noumeana	Guettarda noumeana	Others
BXGF04737	Veronica liwanensis	Veronica liwanensis	Others
BXGF04809	Homalium longifolium	Homalium longifolium	Others
BXGF05847	Vachellia leucophloea	Vachellia leucophloea	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}