5,7,4'-Trihydroxy-6,3'-dimethoxyflavanon
PubChem CID: 14034286
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| Compound Synonyms | CHEMBL484447, 5,7,4'-Trihydroxy-6,3'-dimethoxyflavanon |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UQPOQRIRWKIBNS-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.877 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.409 |
| Compound Name | 5,7,4'-Trihydroxy-6,3'-dimethoxyflavanon |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6914096000000005 |
| Inchi | InChI=1S/C17H16O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-5,7,12,18,20-21H,6H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriodictyon Californicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all