5-Hydroxy-7-methoxy-6-methylflavone
PubChem CID: 369599
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| Compound Synonyms | 5-Hydroxy-7-methoxy-6-methylflavone, 5-Hydroxy-7-methoxy-6-methylflavon, 6-Methyltectochrysin, 55969-57-8, NSC641480, 5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-chromen-4-one, CHEMBL76553, 5-Hydroxy-7-methoxy-6-methyl-2-phenyl-chromen-4-one, 5-hydroxy-7-methoxy-6-methyl-2-phenylchromen-4-one, SCHEMBL22068804, DTXSID00327284, CHEBI:174688, BDBM50338977, LMPK12110171, 5-Hydroxy-6-methyl-7-methoxy-flavone, AKOS030553647, NSC-641480, NCI60_014034, AK-087/42718409, 5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from Leptospermum scoparium (red tea). 5-Hydroxy-7-methoxy-6-methylflavone is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UNQ0, P08183 |
| Iupac Name | 5-hydroxy-7-methoxy-6-methyl-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Target Id | NPT1422 |
| Xlogp | 3.7 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXJMWAGIFVRLTO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.249 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.943 |
| Synonyms | 5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one, 5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-chromen-4-one, 5-Hydroxy-7-methoxy-6-methylflavon, 5-Hydroxy-7-methoxy-6-methylflavone, 6-Methyltectochrysin |
| Substituent Name | 7-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 5-hydroxyflavonoid, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Nitrotoluene, O-cresol, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 5-Hydroxy-7-methoxy-6-methylflavone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.8616385238095234 |
| Inchi | InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Amberboa Ramosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Taliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Leptospermum Polygalifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Scutellaria Discolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Xylopia Columbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all