Bioactive Compound Details

BioIDbio1056
NamePACHYCLADIN C
ChEMBL IDCHEMBL1096781
Molecular FormulaC22H34O4
Molecular Weight362.51
Molecular Weight (Monoisotopic)362.2457
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPachycladin C
SmilesC=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1CC(=C)[C@@H](OC(C)=O)CC[C@@](C)(O)[C@@H]2O1
InchiInChI=1S/C22H34O4/c1-12(2)16-8-7-13(3)19-18-11-14(4)17(25-15(5)23)9-10-22(6,24)21(26-18)20(16)19/h12,16-21,24H,3-4,7-11H2,1-2,5-6H3/t16-,17+,18-,19-,20-,21-,22-/m1/s1
Inchi KeyCDRWIAOABOJFQY-CZIVXSDSSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score3.38
Records Key['3', '19']
Records Name['pachycladin C', 'pachycladin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure