3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
PubChem CID: 12458245
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| Compound Synonyms | 3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one, 69127-80-6, CHEMBL445815, 3-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one, 5,7-dimethoxy-4'-hydroxyisoflavone, BDBM50241820, STK925318, 4''-hydroxy-5,7-dimethoxyisoflavone, AKOS002292255, VU0617470-1, F3385-4424 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | 3-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZBVKMUAJDLNMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.673 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.812 |
| Compound Name | 3-(4-hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.277004618181818 |
| Inchi | InChI=1S/C17H14O5/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calotropis Procera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all