acompound

Showing entry for Melcanthin C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045147
Compound Name	Melcanthin C
Structure
Formula	C22H28O10
InchiKey	ITNBCDHJIVJLJO-OQESSQTCSA-N
SMILES	COC(=O)/C/1=C/[C@@H](O)C/C(=C\[C@@H]2[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C(C)C)C(=C)C(=O)O2)/CO
Inchi	InChI=1S/C22H28O10/c1-10(2)20(26)32-19-17-11(3)21(27)31-16(17)7-13(9-23)6-14(25)8-15(22(28)29-5)18(19)30-12(4)24/h7-8,10,14,16-19,23,25H,3,6,9H2,1-2,4-5H3/b13-7+,15-8+/t14-,16+,17-,18+,19-/m0/s1
IUPAC	methyl (3aS,4S,5R,6E,8S,10E,11aR)-5-acetyloxy-8-hydroxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
Molecular Weight	452.17
Pubchem Id	73354912
Chembl Id	CHEMBL2380781

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	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	4677	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	4680	-	-

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
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	4680	nM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	4677	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02718	Melampodium leucanthum	Melampodium leucanthum	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}