Bioactive Compound Details

BioIDbio187
NameKOPSIMALINE C
ChEMBL IDCHEMBL402530
Molecular FormulaC24H28N2O9
Molecular Weight488.49
Molecular Weight (Monoisotopic)488.1795
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKopsimaline C
SmilesCOC(=O)N1c2c(ccc(OC)c2O)[C@@]23CCN4C[C@@H]5O[C@@H]5[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@@H]5O)[C@H]43
InchiInChI=1S/C24H28N2O9/c1-32-12-5-4-11-14(15(12)27)26(20(30)34-3)23-7-6-21(18(28)24(23,31)19(29)33-2)16-13(35-16)10-25-9-8-22(11,23)17(21)25/h4-5,13,16-18,27-28,31H,6-10H2,1-3H3/t13-,16-,17-,18+,21+,22+,23-,24+/m0/s1
Inchi KeyGXDHEFQHGXMJAL-JXFMMCSMSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.64
Records Key['3']
Records Name['Kopsimaline C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure