Bioactive Compound Details

BioIDbio1380
NameGIBBEROSENE C
ChEMBL IDCHEMBL254750
Molecular FormulaC20H32O3
Molecular Weight320.47
Molecular Weight (Monoisotopic)320.2351
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsgibberosene C
SmilesC/C1=C\CC[C@]2(C)O[C@H]2/C=C(\C(C)C)C[C@H](O)[C@]2(C)O[C@H]2CC1
InchiInChI=1S/C20H32O3/c1-13(2)15-11-16(21)20(5)17(23-20)9-8-14(3)7-6-10-19(4)18(12-15)22-19/h7,12-13,16-18,21H,6,8-11H2,1-5H3/b14-7+,15-12-/t16-,17-,18-,19-,20-/m0/s1
Inchi KeyAIAZQWPYYSEAAV-CPERAUHSSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score3.41
Records Key['4, gibberosene C']
Records Name['(3S*,4S*,11S*,12S*,1E,7E)-3(4),11(12)-diepoxy-13-hydroxycembra-1,7-diene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure