acompound

Showing entry for Aplysiatoxin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047024
Compound Name	Aplysiatoxin
Structure
Formula	C32H47BrO10
InchiKey	RHJPBGWFGOAEID-BEDNPZBZSA-N
SMILES	CO[C@H](c1cc(O)ccc1Br)CC[C@@H]([C@H]1O[C@@]23C[C@@H]([C@@H]1C)OC(=O)C[C@@H](OC(=O)C[C@@](O2)(O)[C@@H](CC3(C)C)C)[C@H](O)C)C
Inchi	InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26-,29+,31-,32-/m0/s1
IUPAC
Molecular Weight	670.24
Pubchem Id	21672114
Chembl Id	CHEMBL1256416

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
Q04759	BXGT012781	Protein kinase C theta type	reviewed	Kinase	PRKCQ	Ki	'='	0	nM
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	Ki	'='	12	nM
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	Ki	'='	0	nM
P05129	BXGT006322	Protein kinase C gamma type	reviewed	Kinase	PRKCG	Ki	'='	0	nM
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	Ki	'='	0	nM
Q02156	BXGT012639	Protein kinase C epsilon type	reviewed	Kinase	PRKCE	Ki	'='	1	nM
P24723	BXGT008989	Protein kinase C eta type	reviewed	Kinase	PRKCH	Ki	'='	0	nM
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	Ki	'='	0	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05702	Cinnamomum camphora	Cinnamomum camphora	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}