Bioactive Compound Details

BioIDbio996
NameNone
ChEMBL IDCHEMBL1802157
Molecular FormulaC23H27ClO7
Molecular Weight450.92
Molecular Weight (Monoisotopic)450.1445
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms12Beta-Hydroxychaetoviridin C
SmilesC[C@H](O)[C@H](C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C3[C@H]12
InchiInChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11+,12-,13+,17-,18-,23+/m1/s1
Inchi KeyMEPQPODJTXSHEP-HETSEVKPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.69
Records Key['10']
Records Name['12beta-hydroxychaetoviridin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure