Bioactive Compound Details

BioIDbio198174
NameNone
ChEMBL IDCHEMBL2024569
Molecular FormulaC26H34Cl2O6
Molecular Weight513.46
Molecular Weight (Monoisotopic)512.1732
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2',3'-Dichlorodihydroenglerin A
SmilesCC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)C(Cl)C(Cl)c1ccccc1
InchiInChI=1S/C26H34Cl2O6/c1-14(2)26-12-18(32-19(30)13-29)25(4,34-26)17-11-10-15(3)20(17)23(26)33-24(31)22(28)21(27)16-8-6-5-7-9-16/h5-9,14-15,17-18,20-23,29H,10-13H2,1-4H3/t15-,17-,18-,20-,21?,22?,23+,25+,26-/m1/s1
Inchi KeyNIECBBCGLQEPKI-CPTJDMOESA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities14.0
Np Likeness Score2.41
Records Key['4, epimer 1', '5, epimer 2']
Records Name[2',3'-Dichlorodihydroenglerin A", "2',3'-Dichlorodihydroenglerin A"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure