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Ligand

NameMadecassic acid
Molecular formulaC30H48O6
IUPAC name(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular weight504.708
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.4
SynonymsNSC-88135
18449-41-7
Brahmic acid;
madecaic acid
madecassic acid;
[ Show all ]
Inchi KeyPRAUVHZJPXOEIF-AOLYGAPISA-N
Inchi IDInChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
PubChem CID73412
ChEMBLCHEMBL481854
IUPHARN/A
BindingDB50244879
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
266718RhodopsinP02699RHOBos taurus (Bovine)348

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