Bioactive Compound Details

BioIDbio123
NameDIVINATORIN C
ChEMBL IDCHEMBL466787
Molecular FormulaC22H30O5
Molecular Weight374.48
Molecular Weight (Monoisotopic)374.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDivinatorin C
SmilesCC(=O)OC[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1
InchiInChI=1S/C22H30O5/c1-15(23)27-14-17-8-11-22(3)18(20(24)25)5-4-6-19(22)21(17,2)10-7-16-9-12-26-13-16/h5,9,12-13,17,19H,4,6-8,10-11,14H2,1-3H3,(H,24,25)/t17-,19+,21-,22-/m0/s1
Inchi KeyCSQRHRPGMJMXPY-TZEULACYSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities8.0
Np Likeness Score2.68
Records Key['9']
Records Name['Divinatorin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure