Bioactive Compound Details

BioIDbio636
NameCYRNEINE C
ChEMBL IDCHEMBL389224
Molecular FormulaC20H26O3
Molecular Weight314.43
Molecular Weight (Monoisotopic)314.1882
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymscyrneine C
SmilesCC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)CC(C=O)=CC[C@@H]3[C@H]12
InchiInChI=1S/C20H26O3/c1-12(2)14-10-17(23)20(4)8-7-19(3)15(18(14)20)6-5-13(11-21)9-16(19)22/h5,10-12,15,18H,6-9H2,1-4H3/t15-,18+,19-,20+/m1/s1
Inchi KeyUVDJGUGLTDSECX-NMLACTOBSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.45
Records Key['4, cyrneine C']
Records Name['1,14-dioxo-cyatha-2,11-dien-12-carbaldehyde']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure