Bioactive Compound Details

BioIDbio1348
NameCASEARVESTRIN C
ChEMBL IDCHEMBL465813
Molecular FormulaC30H44O8
Molecular Weight532.67
Molecular Weight (Monoisotopic)532.3036
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCasearvestrin C
SmilesC=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
InchiInChI=1S/C30H44O8/c1-8-10-11-12-26(34)37-22-16-23-27(35-20(5)31)38-28(36-21(6)32)30(23)24(17-22)29(7,14-13-18(3)9-2)19(4)15-25(30)33/h9,13,16,19,22,24-25,27-28,33H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13+/t19-,22-,24+,25+,27+,28-,29-,30+/m1/s1
Inchi KeyOWZBTGIYKSYHIP-SLOBBVDQSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.32
Records Key['3']
Records Name['casearvestrin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure