Bioactive Compound Details

BioIDbio903
NameNone
ChEMBL IDCHEMBL519842
Molecular FormulaC19H22O6
Molecular Weight346.38
Molecular Weight (Monoisotopic)346.1416
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms3-Deoxy Nagilactone C
SmilesCC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@H]4O[C@H]4[C@@]2(C)[C@@H]13
InchiInChI=1S/C19H22O6/c1-7(2)13-11-8(5-10(20)24-13)19(4)15-14(12(11)21)25-17(22)18(15,3)6-9-16(19)23-9/h5,7,9,12,14-16,21H,6H2,1-4H3/t9-,12-,14-,15+,16-,18+,19-/m1/s1
Inchi KeyXZQNIGOVYWOROY-ZLNDBNLZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.07
Records Key['2']
Records Name['3-deoxy Nagilactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure