Bioactive Compound Details

BioIDbio979
NameDEACETYLCYTOCHALASIN C
ChEMBL IDCHEMBL519782
Molecular FormulaC28H35NO5
Molecular Weight465.59
Molecular Weight (Monoisotopic)465.2515
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDeacetylcytochalasin C
SmilesCC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InchiInChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16,20-24,30-31,34H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,20-,21-,22+,23-,24+,27+,28+/m0/s1
Inchi KeyAOIKFORBJLUJGZ-NIOUNHJPSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score2.54
Records Key['4', '4']
Records Name['deacetylcytochalasin C', 'Deacetylcytochalasin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure