Bioactive Compound Details

BioIDbio1850
NameNAKIJIQUINONE C
ChEMBL IDCHEMBL2315700
Molecular FormulaC24H33NO6
Molecular Weight431.53
Molecular Weight (Monoisotopic)431.2308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNakijiquinone C
SmilesCC1=CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(N[C@@H](CO)C(=O)O)C3=O)[C@@H](C)CC[C@]12C
InchiInChI=1S/C24H33NO6/c1-13-6-5-7-19-23(13,3)9-8-14(2)24(19,4)11-15-20(28)16(10-18(27)21(15)29)25-17(12-26)22(30)31/h6,10,14,17,19,25-26,29H,5,7-9,11-12H2,1-4H3,(H,30,31)/t14-,17-,19+,23+,24+/m0/s1
Inchi KeyKDYLDEPSAMJSSH-IAOVCDLUSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities4.0
Np Likeness Score2.62
Records Key['Nakijiquinone C']
Records Name['Nakijiquinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure