Bioactive Compound Details

BioIDbio874
NameLAEVIGATOL C
ChEMBL IDCHEMBL1765192
Molecular FormulaC20H30O5
Molecular Weight350.46
Molecular Weight (Monoisotopic)350.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLaevigatol C
SmilesC/C1=C\[C@]2(O)OC[C@@]3(C)O[C@]32CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1
InchiInChI=1S/C20H30O5/c1-14-6-7-15-17(3,24-15)9-5-8-16(2,21)10-11-19-18(4,25-19)13-23-20(19,22)12-14/h5,8,12,15,21-22H,6-7,9-11,13H2,1-4H3/b8-5+,14-12+/t15-,16+,17+,18+,19+,20-/m0/s1
Inchi KeyGCLSWSUESVZTIE-SBFDNRRKSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.96
Records Key['3']
Records Name['laevigatol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure