Bioactive Compound Details

BioIDbio240
NameNone
ChEMBL IDCHEMBL516873
Molecular FormulaC19H24O7
Molecular Weight364.39
Molecular Weight (Monoisotopic)364.1522
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms1Beta,2Alpha-Epoxytagitinin C
SmilesC=C1C(=O)O[C@@H]2/C=C(/C)C(=O)[C@@H]3O[C@H]3[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@H]12
InchiInChI=1S/C19H24O7/c1-8(2)17(21)25-12-7-19(5,23)16-15(26-16)14(20)9(3)6-11-13(12)10(4)18(22)24-11/h6,8,11-13,15-16,23H,4,7H2,1-3,5H3/b9-6-/t11-,12-,13+,15+,16-,19-/m1/s1
Inchi KeyRRILSSWTIAVLMG-OZUMSVRBSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities8.0
Np Likeness Score2.92
Records Key['6', 'STL19']
Records Name['1beta,2alpha-epoxytagitinin C', 'Tagitinin C epoxide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure