Bioactive Compound Details

BioIDbio1243
NameNORCAESALPININ C
ChEMBL IDCHEMBL458027
Molecular FormulaC23H30O7
Molecular Weight418.49
Molecular Weight (Monoisotopic)418.1992
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNorcaesalpinin C
SmilesCC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(cc(O)c(C=O)c3C)[C@@]2(C)[C@H]1OC(C)=O
InchiInChI=1S/C23H30O7/c1-12-15-7-8-23(28)21(4,5)10-19(29-13(2)25)20(30-14(3)26)22(23,6)17(15)9-18(27)16(12)11-24/h9,11,19-20,27-28H,7-8,10H2,1-6H3/t19-,20-,22-,23+/m0/s1
Inchi KeyKWOVIFZNTAPYCQ-BAMDZGJYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score2.5
Records Key['10', '9']
Records Name['norcaesalpinin C', '16-Norcaesalpinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure