Bioactive Compound Details
| BioID | bio197509 |
|---|---|
| Name | 2-PHLOROECKOL |
| ChEMBL ID | CHEMBL2391423 |
| Molecular Formula | C24H16O12 |
| Molecular Weight | 496.38 |
| Molecular Weight (Monoisotopic) | 496.0642 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | Oc1cc(O)cc(Oc2c(Oc3c(O)cc(O)cc3O)cc(O)c3c2Oc2c(O)cc(O)cc2O3)c1 |
| Inchi | InChI=1S/C24H16O12/c25-9-1-10(26)3-13(2-9)33-23-19(34-20-14(29)4-11(27)5-15(20)30)8-17(32)22-24(23)36-21-16(31)6-12(28)7-18(21)35-22/h1-8,25-32H |
| Inchi Key | WYQMJNVMBAQVFD-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 1.25 |
| Records Key | ['5', '106'] |
| Records Name | ['2-Phloroeckol', '9-(3,5-dihydroxyphenoxy)-8-(2,4,6-trihydroxyphenoxy)dibenzo[b,e][1,4]dioxine-1,3,6-triol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
