Bioactive Compound Details

BioIDbio654
NameNOTABILISIN C
ChEMBL IDCHEMBL1808154
Molecular FormulaC30H34O7
Molecular Weight506.6
Molecular Weight (Monoisotopic)506.2305
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNotabilisin C
SmilesCC(C)=CCC/C(C)=C/Cc1c(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)ccc(O)c1O
InchiInChI=1S/C30H34O7/c1-16(2)7-6-8-18(5)10-12-19-20(13-14-22(31)26(19)34)30-28(36)27(35)25-24(33)15-23(32)21(29(25)37-30)11-9-17(3)4/h7,9-10,13-15,31-34,36H,6,8,11-12H2,1-5H3/b18-10+
Inchi KeyMQNQGTVUMGNSEG-VCHYOVAHSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities6.0
Np Likeness Score2.08
Records Key['3']
Records Name['Notabilisin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure