Bioactive Compound Details

BioIDbio1096
NameYUZURIMINE C
ChEMBL IDCHEMBL2062998
Molecular FormulaC23H29NO5
Molecular Weight399.49
Molecular Weight (Monoisotopic)399.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsYuzurimine C
SmilesCOC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@@](O)(C=C[C@@]52C=O)[C@]63O)CC[C@@H]41
InchiInChI=1S/C23H29NO5/c1-13-10-24-11-15-5-3-14-4-6-16-17(19(26)29-2)9-21(18(14)16)20(15,12-25)7-8-22(13,27)23(21,24)28/h7-8,12-13,15-17,27-28H,3-6,9-11H2,1-2H3/t13-,15+,16+,17+,20+,21+,22-,23-/m0/s1
Inchi KeyXTASVYATQQWPQB-QRVZBPJDSA-N
Molecular SpeciesBASE
Targets6.0
Bioactivities7.0
Np Likeness Score2.87
Records Key['14']
Records Name['yuzurimine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure