Bioactive Compound Details

BioIDbio754
NameNone
ChEMBL IDCHEMBL465844
Molecular FormulaC20H30O3
Molecular Weight318.46
Molecular Weight (Monoisotopic)318.2195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms9-Deoxyxenialactol-C
SmilesC=C1CC/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)CO[C@H](O)[C@@H]12
InchiInChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,16-9-/t17-,18+,19+/m1/s1
Inchi KeyGVOYGZRFVYIDGT-FZAJABQISA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.42
Records Key['4']
Records Name['9-deoxyxenialactol-C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure