Quercetin 3,4'-dimethyl ether
PubChem CID: 5380905
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| Compound Synonyms | 33429-83-3, Quercetin 3,4'-dimethyl ether, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-chromen-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one, 5,7,3'-Trihydroxy-3,4'-dimethoxyflavone, NSC-106970, 3,4'-Dimethylquercetin, QUERCETIN-3,4'-DIMETHYL ETHER, 3,4'-dimethoxy-5,7,3'-trihydroxyflavone, CHEBI:70008, NSC 106970, Quercetin 3,4 inverted exclamation marka-dimethyl ether, MFCD00016927, NSC106970, 3,4'-dimethoxy-3',5,7-trihydroxyflavone, Quercetin3,4'-dimethylether, Flavone base + 3O, 2MeO, CHEMBL309263, SCHEMBL1250534, ACon1_001466, DTXSID10418970, ZSPZNFOLWQEVQJ-UHFFFAOYSA-N, BCP15860, HY-N1582, LMPK12112761, NSC788216, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one, AKOS015999068, FQ42736, FS-9764, NSC-788216, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-, 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-, NCGC00180476-01, Flavone,5,7-trihydroxy-3,4'-dimethoxy-, DB-048400, 3,4'-Dimethoxy-3',5,7-trihydroxy flavone, CS-0017130, NS00116338, FLAVONE,5,7-TRIHYDROXY-3,4-DIMETHOXY, E87206, Q27138349, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-1-benzopyran-4-one, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9BUF5, Q862F3, O14763, Q13332 |
| Iupac Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSPZNFOLWQEVQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.722 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.658 |
| Compound Name | Quercetin 3,4'-dimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5943437333333335 |
| Inchi | InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Quadrangulare (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dovyalis Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fagraea Fragrans (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Jasonia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nephelium Mutabile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all