Bioactive Compound Details

BioIDbio1780
NameEISENIACHLORIDE C
ChEMBL IDCHEMBL466570
Molecular FormulaC20H29ClO3
Molecular Weight352.9
Molecular Weight (Monoisotopic)352.1805
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEiseniachloride C
SmilesCC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@@H]2[C@@H](O)[C@H](Cl)C[C@H]21
InchiInChI=1S/C20H29ClO3/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m0/s1
Inchi KeyXSVVTBMSEOBKQC-UFMICMNASA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.54
Records Key['3']
Records Name['eiseniachloride C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure