Bioactive Compound Details

BioIDbio440
NameXYLARENONE C
ChEMBL IDCHEMBL1813183
Molecular FormulaC26H40O5
Molecular Weight432.6
Molecular Weight (Monoisotopic)432.2876
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsXylarenone C
SmilesC=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)C(C)CC(C)CC(C)CC)CC[C@@H]1C
InchiInChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24+,25+,26-/m0/s1
Inchi KeyCVLZBOJHINAXHY-VAXWEKKDSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities9.0
Np Likeness Score2.94
Records Key['2', '1']
Records Name['Xylarenone C', 'Xylarenone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure