Tamarixetin
PubChem CID: 5281699
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| Compound Synonyms | Tamarixetin, 603-61-2, 4'-Methoxyquercetin, 4'-O-Methyl Quercetin, 4'-O-Methylquercetin, Quercetin 4'-methyl ether, 4'-Methylquercetin, 3,3',5,7-Tetrahydroxy-4'-methoxyflavone, Quercetin, 4'-methyl ether, UNII-73WRA8Z8M8, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 73WRA8Z8M8, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one, 3-O-rhamnopyranosyl-1-2-glucopyranoside, CHEBI:67492, EINECS 210-050-7, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one, BRN 0324993, 3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside, 4'-Methoxy-3,3',5,7-tetrahydroxyflavone, CHEMBL226034, 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone, Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, DTXSID00209056, FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-, Quercetin-4'-methylether, MFCD00017308, Tamarixetin (Standard), SCHEMBL892776, HY-N1181R, DTXCID20131547, HY-N1181, BDBM50325674, LMPK12110606, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, AKOS024287252, FM25556, 4'-methoxy-3,5,7,3'-tetrahydroflavone, AC-34261, AS-78314, DB-053606, CS-0016472, NS00034341, 4 inverted exclamation marka-O-Methyl Quercetin, E80555, Q15427839, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one, 210-050-7, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 3,3',5,7-Tetrahydroxy-4'-methoxyflavone, Tamaraxetin |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COcccccc6O)))cocccO)ccc6c=O)c%10O))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Flavonoids |
| Description | Isolated from Gossypium hirsutum (cotton) and other plants Tamarixetin is a flavanoid component of the Ginko Biloba extract. Exhibits antioxidant properties. Tamarixetin is found in fats and oils. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05177, P04798, Q16678, Q28731, O42275, P81908, Q86831, n.a., P45983, Q4QEW7, Q02127, P27361, P53778 |
| Iupac Name | 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT208, NPT1603, NPT1604 |
| Xlogp | 1.9 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O7 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPLMIPQZHHQWHN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0625 |
| Logs | -3.74 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.308 |
| Synonyms | 3,3',5,7-Tetrahydroxy-4'-methoxyflavone, 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 3',5,7-Trihydroxy-4'-methoxyflavonol, 4'-O-Methylquercetin, Quercetin 4'-methyl ether, Tamarixetin, 4'-methoxyquercetin, tamarixetin |
| Substituent Name | 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavanonol, Flavanone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 3-hydroxyflavonoid, 3'-hydroxyflavonoid, Flavan, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Chromane, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Resorcinol, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Secondary alcohol, Polyol, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aromatic heteropolycyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Tamarixetin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 316.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.386925608695652 |
| Inchi | InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Alphitonia Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Arisarum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cascabela Thevetia (Plant) Rel Props:Reference:ISBN:9788185042114 - 6. Outgoing r'ship
FOUND_INto/from Cerbera Manghas (Plant) Rel Props:Reference:ISBN:9770972795006 - 7. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042114 - 8. Outgoing r'ship
FOUND_INto/from Echinops Niveus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362300 - 9. Outgoing r'ship
FOUND_INto/from Eucalyptus Sieberiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Euphorbia Officinarum (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Flemingia Macrophylla (Plant) Rel Props:Reference:ISBN:9770972795006 - 12. Outgoing r'ship
FOUND_INto/from Fraxinus Floribunda (Plant) Rel Props:Reference:ISBN:9770972795006 - 13. Outgoing r'ship
FOUND_INto/from Glossocalyx Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Helianthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Indigofera Linnaei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Ipomoea Aquatica (Plant) Rel Props:Reference:ISBN:9788172361150 - 18. Outgoing r'ship
FOUND_INto/from Quercus Gilva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Reaumuria Mucronata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Syringa Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Tamarix Aphylla (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19530447 - 22. Outgoing r'ship
FOUND_INto/from Tamarix Dioica (Plant) Rel Props:Reference:ISBN:9788172363178 - 23. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all