Bioactive Compound Details

BioIDbio1709
NameTYLOPHORIDICINE C
ChEMBL IDCHEMBL249029
Molecular FormulaC22H23NO5
Molecular Weight381.43
Molecular Weight (Monoisotopic)381.1576
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTylophoridicine C
SmilesCOc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)C[N+]1([O-])CCC[C@H]1[C@H]3O
InchiInChI=1S/C22H23NO5/c1-27-12-5-6-13-14(8-12)15-9-19(24)20(28-2)10-16(15)17-11-23(26)7-3-4-18(23)22(25)21(13)17/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+,23?/m0/s1
Inchi KeyKYCJLNMNKCNMOB-FQCMXHLOSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score1.76
Records Key['PA-3']
Records Name['tylophoridicine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure