Bioactive Compound Details

BioIDbio1810
NameNone
ChEMBL IDCHEMBL2204369
Molecular FormulaC19H22O6
Molecular Weight346.38
Molecular Weight (Monoisotopic)346.1416
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(-)-Abyssomicin C
SmilesC[C@@H]1C[C@H](C)C(=O)/C=C/C2[C@@H](O)C3OC4=C(C(=O)O[C@@]42C[C@H]3C)C1=O
InchiInChI=1S/C19H22O6/c1-8-6-9(2)14(21)13-17-19(25-18(13)23)7-10(3)16(24-17)15(22)11(19)4-5-12(8)20/h4-5,8-11,15-16,22H,6-7H2,1-3H3/b5-4+/t8-,9+,10+,11?,15+,16?,19+/m0/s1
Inchi KeyFNEADFUPWHAVTA-WDQYZCCLSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.18
Records Key['208', '209']
Records Name['(-)-abyssomicin C', '(-)-atrop-abyssomicin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure