3-(2,4-Dihydroxyphenoxy)-8,8-dimethylpyrano[2,3-f]chromen-4-one
PubChem CID: 137631649
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| Compound Synonyms | CHEMBL4065258 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 624.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenoxy)-8,8-dimethylpyrano[2,3-f]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQQQSEIHGNHDSY-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.972 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.221 |
| Compound Name | 3-(2,4-Dihydroxyphenoxy)-8,8-dimethylpyrano[2,3-f]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8473050153846153 |
| Inchi | InChI=1S/C20H16O6/c1-20(2)8-7-12-15(26-20)6-4-13-18(23)17(10-24-19(12)13)25-16-5-3-11(21)9-14(16)22/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)OC4=C(C=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients