Bioactive Compound Details

BioIDbio298
NameCANDELALIDE C
ChEMBL IDCHEMBL460814
Molecular FormulaC28H40O5
Molecular Weight456.62
Molecular Weight (Monoisotopic)456.2876
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCandelalide C
SmilesC=C1CC[C@@H]2[C@](C)(CC[C@H]3OC(C(C)(C)O)=CC[C@]23C)[C@H]1Cc1c(OC)oc(C)c(C)c1=O
InchiInChI=1S/C28H40O5/c1-16-9-10-21-27(6,13-12-23-28(21,7)14-11-22(33-23)26(4,5)30)20(16)15-19-24(29)17(2)18(3)32-25(19)31-8/h11,20-21,23,30H,1,9-10,12-15H2,2-8H3/t20-,21+,23+,27+,28+/m0/s1
Inchi KeyMFJVRDCMRMOVCI-PVAYAEGDSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.16
Records Key['6']
Records Name['candelalide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure