2'-O-Methylabronisoflavone
PubChem CID: 5482494
Connections displayed (default: 10).
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| Compound Synonyms | 2'-O-methylabronisoflavone, 5,7-Dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one, CHEMBL496643, SCHEMBL16226494, 5,7-dihydroxy-3-(2-methoxyphenyl)-6-methyl-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(2-methoxyphenyl)-6-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MNTFQBBYPKFUJE-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.346 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.59 |
| Compound Name | 2'-O-Methylabronisoflavone |
| 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 | -3.7147046181818184 |
| Inchi | InChI=1S/C17H14O5/c1-9-12(18)7-14-15(16(9)19)17(20)11(8-22-14)10-5-3-4-6-13(10)21-2/h3-8,18-19H,1-2H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=CC=C3OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Mirabilis Jalapa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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FOUND_INto/from Wunderlichia Mirabilis (Plant) Rel Props:Reference: