Bioactive Compound Details

BioIDbio217
NameAPTENIOL C
ChEMBL IDCHEMBL2269137
Molecular FormulaC21H24O6
Molecular Weight372.42
Molecular Weight (Monoisotopic)372.1573
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCOC(=O)CCc1ccc(Oc2ccc(CCC(=O)OC)cc2OC)cc1
InchiInChI=1S/C21H24O6/c1-24-19-14-16(8-13-21(23)26-3)6-11-18(19)27-17-9-4-15(5-10-17)7-12-20(22)25-2/h4-6,9-11,14H,7-8,12-13H2,1-3H3
Inchi KeySYWGPADQOCSBBG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score-0.02
Records Key['3, Apteniol C']
Records Name[Dimethyl 3-methoxy-4,4'-oxyneolign-9,9'-dioate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure