Bioactive Compound Details

BioIDbio1511
NameNone
ChEMBL IDCHEMBL398871
Molecular FormulaC26H30O5
Molecular Weight422.52
Molecular Weight (Monoisotopic)422.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(+/-)-Panduratin C
SmilesCOc1cc(O)cc(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@H]1c1ccc(O)cc1
InchiInChI=1S/C26H30O5/c1-15(2)5-11-20-16(3)6-12-21(17-7-9-18(27)10-8-17)24(20)26(30)25-22(29)13-19(28)14-23(25)31-4/h5-10,13-14,20-21,24,27-29H,11-12H2,1-4H3/t20-,21+,24-/m1/s1
Inchi KeyUDUSGBMXZRNBJM-ZFGGDYGUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.0
Records Key['20']
Records Name['(+/-)-panduratin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure