Bioactive Compound Details

BioIDbio73
NameISOCOCHLIOQUINONE C
ChEMBL IDCHEMBL2288174
Molecular FormulaC28H40O7
Molecular Weight488.62
Molecular Weight (Monoisotopic)488.2774
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCC[C@H](C)C(=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O
InchiInChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,25,29,31,33H,8-12H2,1-7H3/t14-,15-,18+,19+,25+,27-,28+/m0/s1
Inchi KeyNZUVNIFDHVYNAE-AXSAHRJFSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities9.0
Np Likeness Score2.26
Records Key['7', '17']
Records Name['Isocochlioquinone C', 'Isocochlioquinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure