Bioactive Compound Details

BioIDbio1812
NameACALYCIXENIOLIDE C
ChEMBL IDCHEMBL481629
Molecular FormulaC19H26O3
Molecular Weight302.41
Molecular Weight (Monoisotopic)302.1882
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAcalycixeniolide C
SmilesC=C=CCC[C@@H]1C(=O)OC[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12
InchiInChI=1S/C19H26O3/c1-4-5-6-7-15-14-10-11-19(3)17(22-19)9-8-13(2)16(14)12-21-18(15)20/h5,14-17H,1-2,6-12H2,3H3/t14-,15+,16+,17?,19+/m1/s1
Inchi KeyDQTYNKVIRJYJRR-SGDSBORUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.55
Records Key['1']
Records Name['Acalycixeniolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure