6,8-Dihydroxy-2-(4-methoxyphenoxy)-7-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 101905266
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| Compound Synonyms | CHEMBL3314705 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 585.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dihydroxy-2-(4-methoxyphenoxy)-7-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KOKIVZSWNDCWDJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.814 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.153 |
| Compound Name | 6,8-Dihydroxy-2-(4-methoxyphenoxy)-7-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.343005518518519 |
| Inchi | InChI=1S/C21H20O6/c1-12(2)4-9-15-17(22)10-16-18(23)11-19(27-21(16)20(15)24)26-14-7-5-13(25-3)6-8-14/h4-8,10-11,22,24H,9H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C2C(=O)C=C(OC2=C1O)OC3=CC=C(C=C3)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients