Bioactive Compound Details

BioIDbio837
NameAPLYSINOPLIDE C
ChEMBL IDCHEMBL484094
Molecular FormulaC25H40O5
Molecular Weight420.59
Molecular Weight (Monoisotopic)420.2876
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAplysinoplide C
SmilesC/C(=C\CC/C(=C/CC1OC(=O)C=C1CO)CO)CCC1C(C)(C)CCCC1(C)O
InchiInChI=1S/C25H40O5/c1-18(9-12-22-24(2,3)13-6-14-25(22,4)29)7-5-8-19(16-26)10-11-21-20(17-27)15-23(28)30-21/h7,10,15,21-22,26-27,29H,5-6,8-9,11-14,16-17H2,1-4H3/b18-7+,19-10-
Inchi KeyBYAXMGMKQCMKDN-MXZVUSGPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.33
Records Key['3']
Records Name['Aplysinoplide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure