Bioactive Compound Details

BioIDbio1463
NameDIINCARVILONE C
ChEMBL IDCHEMBL2062968
Molecular FormulaC30H40O4
Molecular Weight464.65
Molecular Weight (Monoisotopic)464.2927
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDiincarvilone C
SmilesC[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CC[C@@H](CO)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C
InchiInChI=1S/C30H40O4/c1-18-7-5-9-23-25(33)13-21(14-28(18,23)3)30(17-32)12-11-20(16-31)22-15-29(4)19(2)8-6-10-24(29)27(34)26(22)30/h9-10,13,18-20,31-32H,5-8,11-12,14-17H2,1-4H3/t18-,19-,20-,28+,29+,30+/m0/s1
Inchi KeyNEXXXJDVSHXFRB-GFHXGSRDSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.39
Records Key['3']
Records Name['Diincarvilone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure