Bioactive Compound Details

BioIDbio1816
NameARGENTINIC ACID C
ChEMBL IDCHEMBL502845
Molecular FormulaC36H56O7
Molecular Weight600.84
Molecular Weight (Monoisotopic)600.4026
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsArgentinic Acid C
SmilesC/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C
InchiInChI=1S/C36H56O7/c1-10-22(4)31(39)32(40)43-29-19-28(33(5,6)41)35(8,16-14-30(37)38)27-13-15-34(7)25(11-12-26(34)36(27,29)9)23-18-24(42-20-23)17-21(2)3/h10,12,17,23-25,27-29,31,39,41H,11,13-16,18-20H2,1-9H3,(H,37,38)/b22-10+/t23-,24-,25+,27-,28-,29-,31-,34+,35-,36+/m1/s1
Inchi KeyWMWGSTONTQJHTQ-CMLQKLTLSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.23
Records Key['3, acid']
Records Name['argentinic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure