Bioactive Compound Details

BioIDbio438
NameCLINOPODIC ACID C
ChEMBL IDCHEMBL1080779
Molecular FormulaC27H22O12
Molecular Weight538.46
Molecular Weight (Monoisotopic)538.1111
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsClinopodic Acid C
SmilesO=C(/C=C/c1ccc2c(c1)O[C@H](C(=O)O)[C@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InchiInChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24+,25+/m1/s1
Inchi KeyKPKHMGUZUPELJC-RXYMDKBQSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.26
Records Key['4']
Records Name['Clinopodic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure