Bioactive Compound Details

BioIDbio199790
NameNone
ChEMBL IDCHEMBL202778
Molecular FormulaC25H27IO5
Molecular Weight534.39
Molecular Weight (Monoisotopic)534.0903
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Iodobenzoyl-Miliusol
SmilesCC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1I)C=CC2=O
InchiInChI=1S/C25H27IO5/c1-16(2)7-6-8-17(3)13-22-25(15-23(28)31-22)14-18(11-12-21(25)27)30-24(29)19-9-4-5-10-20(19)26/h4-5,7,9-13,18,22H,6,8,14-15H2,1-3H3/b17-13+/t18-,22-,25+/m1/s1
Inchi KeyVOUQCSMOZAUFCM-KBIYZBTBSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.89
Records Key['2bg']
Records Name['2-Iodobenzoyl-miliusol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure