Bioactive Compound Details

BioIDbio226
NameUMBELLACIN C
ChEMBL IDCHEMBL480279
Molecular FormulaC20H28O4
Molecular Weight332.44
Molecular Weight (Monoisotopic)332.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsUmbellacin C
SmilesCC(C)(O)/C=C/C=C1/COC(=O)[C@H]2C3=CC[C@@H](O)[C@@](C)(CC[C@H]12)C3
InchiInChI=1S/C20H28O4/c1-19(2,23)9-4-5-14-12-24-18(22)17-13-6-7-16(21)20(3,11-13)10-8-15(14)17/h4-6,9,15-17,21,23H,7-8,10-12H2,1-3H3/b9-4+,14-5-/t15-,16-,17+,20+/m1/s1
Inchi KeyVDKKZKHDDPOYMA-CWVYIGCKSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.43
Records Key['3']
Records Name['umbellacin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure