Bioactive Compound Details

BioIDbio908
NameASPOCHALASIN C
ChEMBL IDCHEMBL519431
Molecular FormulaC24H35NO4
Molecular Weight401.55
Molecular Weight (Monoisotopic)401.2566
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAspochalasin C
SmilesCC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InchiInChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+/t16-,17+,18+,19+,20+,22+,24-/m1/s1
Inchi KeyGCIKKGSNXSCKCP-PJWJRCBPSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.03
Records Key['4']
Records Name['aspochalasin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure