Bioactive Compound Details

BioIDbio1079
NameCANELLIN C
ChEMBL IDCHEMBL469849
Molecular FormulaC20H24O6
Molecular Weight360.41
Molecular Weight (Monoisotopic)360.1573
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCanellin C
SmilesC=CC[C@@]12CC(=O)[C@@H](O)[C@@](OC)([C@@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C
InchiInChI=1S/C20H24O6/c1-4-7-19-9-13(21)17(22)20(24-3,18(19)23)16(11(19)2)12-5-6-14-15(8-12)26-10-25-14/h4-6,8,11,16-18,22-23H,1,7,9-10H2,2-3H3/t11-,16+,17+,18+,19-,20+/m0/s1
Inchi KeyHFRUTFXBVKAWAM-QOTPZCEWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.09
Records Key['6']
Records Name['canellin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure