Bioactive Compound Details

BioIDbio1378
NameCALANQUINONE C
ChEMBL IDCHEMBL538130
Molecular FormulaC16H14O5
Molecular Weight286.28
Molecular Weight (Monoisotopic)286.0841
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCalanquinone C
SmilesCOc1cc2c(c(OC)c1O)C1=C(CC2)C(=O)C=CC1=O
InchiInChI=1S/C16H14O5/c1-20-12-7-8-3-4-9-10(17)5-6-11(18)14(9)13(8)16(21-2)15(12)19/h5-7,19H,3-4H2,1-2H3
Inchi KeyPQDQTDFITALYGL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score1.79
Records Key['3, Calanquinone C']
Records Name['6-hydroxy-5,7-dimethoxy-9,10-dihydro-14-phenanthrenequinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure