Bioactive Compound Details

BioIDbio1458
NamePORICOIC ACID C
ChEMBL IDCHEMBL1793863
Molecular FormulaC31H46O4
Molecular Weight482.71
Molecular Weight (Monoisotopic)482.3396
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPoricoic Acid C
SmilesC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InchiInChI=1S/C31H46O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h12,14,19,22-24H,3,5,9-11,13,15-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24-,29+,30-,31+/m1/s1
Inchi KeyQFVFCBZDUKVXLR-PKSIZLAPSA-N
Molecular SpeciesACID
Targets10.0
Bioactivities14.0
Np Likeness Score3.23
Records Key['13', '2a']
Records Name['poricoic acid C', 'poricoic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure