Bioactive Compound Details

BioIDbio817
NameFATSICARPAIN C
ChEMBL IDCHEMBL1823026
Molecular FormulaC30H44O4
Molecular Weight468.68
Molecular Weight (Monoisotopic)468.324
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsfatsicarpain C
SmilesCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]2CC[C@]13C
InchiInChI=1S/C30H44O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7-8,18,21-23,32H,9-17H2,1-6H3,(H,33,34)/t21-,22-,23-,26+,27+,28-,29-,30+/m1/s1
Inchi KeyBICZFYRWUHELRT-KFYXPMKRSA-N
Molecular SpeciesACID
Targets11.0
Bioactivities12.0
Np Likeness Score3.19
Records Key['3, fatsicarpain C']
Records Name['23-formyl-3alpha-hydroxyolean-11,13(18)-dien-28-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure