Bioactive Compound Details

BioIDbio986
NameHETEROPLEXISOLIDE C
ChEMBL IDCHEMBL1087556
Molecular FormulaC20H26O5
Molecular Weight346.42
Molecular Weight (Monoisotopic)346.178
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHeteroplexisolide C
SmilesCC(C)=C[C@@H]1OC(=O)/C(=C/CC/C(C)=C/CCC2=CC(=O)OC2)[C@@H]1O
InchiInChI=1S/C20H26O5/c1-13(2)10-17-19(22)16(20(23)25-17)9-5-7-14(3)6-4-8-15-11-18(21)24-12-15/h6,9-11,17,19,22H,4-5,7-8,12H2,1-3H3/b14-6+,16-9+/t17-,19-/m0/s1
Inchi KeyJUASWHOQXQTCSB-CNGPFWQASA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score3.21
Records Key['5']
Records Name['Heteroplexisolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure