Bioactive Compound Details

BioIDbio606
NameBOTCININ C
ChEMBL IDCHEMBL457829
Molecular FormulaC24H38O8
Molecular Weight454.56
Molecular Weight (Monoisotopic)454.2567
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBotcinin C
SmilesCCCCCC[C@H](O)/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@H]2OC(=O)[C@@H](C)[C@H](OC(C)=O)[C@@]2(C)O[C@H]1C
InchiInChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15+,16+,18+,20-,21+,22+,24+/m1/s1
Inchi KeyZLZXAWHFKFHHNF-MLIBADTPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.8
Records Key['3']
Records Name['Botcinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure