Bioactive Compound Details

BioIDbio862
NameCAESALPININ C
ChEMBL IDCHEMBL465802
Molecular FormulaC24H32O6
Molecular Weight416.51
Molecular Weight (Monoisotopic)416.2199
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCaesalpinin C
SmilesC=C1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]21C
InchiInChI=1S/C24H32O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10,16,18,20-21,27H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,23-,24+/m0/s1
Inchi KeyMYVHVFGKOZGBLW-RAMHWAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.67
Records Key['1']
Records Name['caesalpinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure