Bioactive Compound Details

BioIDbio1020
NameCHERMESINONE C
ChEMBL IDCHEMBL1801781
Molecular FormulaC18H22O6
Molecular Weight334.37
Molecular Weight (Monoisotopic)334.1416
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChermesinone C
SmilesCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)O[C@H](O)[C@H]3[C@H]12
InchiInChI=1S/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1
Inchi KeyPOKFFFWIOJPOJZ-OADPAQMCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.59
Records Key['3']
Records Name['chermesinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure