Bioactive Compound Details

BioIDbio757
NameSANDORINIC ACID C
ChEMBL IDCHEMBL465067
Molecular FormulaC30H46O4
Molecular Weight470.69
Molecular Weight (Monoisotopic)470.3396
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSandorinic acid C
SmilesCC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)[C@H](O)C3
InchiInChI=1S/C30H46O4/c1-25(2)20-9-8-18-19(28(20,5)11-10-22(25)31)16-23(32)30(7)21-17-27(4,24(33)34)13-12-26(21,3)14-15-29(18,30)6/h20-21,23,32H,8-17H2,1-7H3,(H,33,34)/t20-,21+,23+,26+,27+,28+,29+,30+/m0/s1
Inchi KeyARUDPAROWGJVLG-FUPYXVGYSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities5.0
Np Likeness Score3.18
Records Key['3, Sandorinic acid C']
Records Name['12beta-hydroxy-3-oxomultiflora-8-en-29-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure