Bioactive Compound Details

BioIDbio964
NameCHROTACUMINE C
ChEMBL IDCHEMBL1078324
Molecular FormulaC26H29NO9
Molecular Weight499.52
Molecular Weight (Monoisotopic)499.1842
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChrotacumine C
SmilesCOc1cc(C(=O)O[C@@H]2CN(C)CC[C@@H]2c2c(O)cc(O)c3c(=O)cc(C)oc23)cc(OC)c1OC
InchiInChI=1S/C26H29NO9/c1-13-8-16(28)23-18(30)11-17(29)22(25(23)35-13)15-6-7-27(2)12-21(15)36-26(31)14-9-19(32-3)24(34-5)20(10-14)33-4/h8-11,15,21,29-30H,6-7,12H2,1-5H3/t15-,21+/m0/s1
Inchi KeyHVKVOCXJBCFWGR-YCRPNKLZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.16
Records Key['3']
Records Name['chrotacumine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure