Bioactive Compound Details

BioIDbio1617
NameTAXUSABIETANE C
ChEMBL IDCHEMBL2282009
Molecular FormulaC22H26O6
Molecular Weight386.44
Molecular Weight (Monoisotopic)386.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCOc1c(C(C)C)cc2c(c1OC)[C@@]13CCC(=O)C(C)(C)[C@@H]1[C@H](OC3=O)C2=O
InchiInChI=1S/C22H26O6/c1-10(2)11-9-12-14(17(27-6)16(11)26-5)22-8-7-13(23)21(3,4)19(22)18(15(12)24)28-20(22)25/h9-10,18-19H,7-8H2,1-6H3/t18-,19+,22+/m1/s1
Inchi KeyIHDSUQHVZZRGGR-DXIQSLLYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.21
Records Key['1, TC']
Records Name['Taxusabietane C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure