Bioactive Compound Details

BioIDbio732
NameSEQUOIATONE C
ChEMBL IDCHEMBL495442
Molecular FormulaC22H30O5
Molecular Weight374.48
Molecular Weight (Monoisotopic)374.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSequoiatone C
SmilesCCCCCC[C@H](C)C(=O)/C=C1\C(C(=O)OC)=C2C=COC(C)=C2[C@]1(C)O
InchiInChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1
Inchi KeyDYUPDLYFDGWNBP-TVXHFNGESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.96
Records Key['1']
Records Name['Sequoiatone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure