Tetramethylscutellarein
PubChem CID: 96118
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| Compound Synonyms | Scutellarein tetramethyl ether, 1168-42-9, 4',5,6,7-Tetramethoxyflavone, Tetramethyl-O-scutellarin, Tetra-O-methylscutellarein, Tetramethylscutellarein, Flavone, 4',5,6,7-tetramethoxy-, 5,6,7,4'-Tetramethoxyflavone, NSC-53908, 5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one, Scutellarein tetramethylether, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, NSC53908, 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-, DWN851IYG6, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, CHEBI:34357, NSC 53908, 5-METHOXYSALVIGENIN, UNII-DWN851IYG6, Scutellarein 5,6,7,4'-tetramethyl ether, 4', 5,6,7-Tetramethoxyflavone, DTXSID60151522, Flavone, 5,6,7,4'-tetramethoxy, PECTOLINARIGENIN DIMETHYL ETHER, Scutellareintetramethylether, Scutellarein tetramethyl ether, 4',5,6,7-Tetramethoxyflavone, MFCD00017442, Tetrametlglscutellarein, NCIMech_000290, Oprea1_070007, 4',6,7-Tetramethoxyflavone, MLS001048998, CHEMBL75349, SCHEMBL739115, Flavone,5,6,7-tetramethoxy-, DTXCID4074013, ACon1_001966, HY-N4314R, 4',5,6,7-tetramethoxy flavone, 4',5,6,7-Tetramethoxy-Flavone, HMS2271J05, BCP10002, HY-N4314, BDBM50451668, CCG-35304, LMPK12111167, STL578194, XH1485, AKOS015969703, FT75183, NCGC00179960-01, MS-25233, NCI60_004329, Scutellarein tetramethyl ether (Standard), SMR000387012, DB-041341, CS-0032724, Flavone, 4',5,6,7-tetramethoxy- (8CI), NS00134226, T3970, E80724, BRD-K36475601-001-01-8, Q27116014, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,6,7-trimethoxy-2-(4-methoxyphenyl)-, 4H-1-Benzopyran-4-one, 5,6, 7-trimethoxy-2-(4-methoxyphenyl)-, NCGC00179960-02!5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one, 5-Methoxysalvigenin, 5,6,7,4'-Tetramethoxyflavone, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6))ccc=O)cco6)cccc6OC)))OC)))OC |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Flavonoids |
| Description | Isolated from Salvia officinalis (sage) leaves. Tetramethylscutellarein is found in tea, sweet orange, and herbs and spices. |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25099, P0DMS8, O42713, n.a., P00352, Q03164, P51450, Q16236, Q96QE3, Q9UNA4, P08659, P43220, Q9NUW8, Q13148, Q15118 |
| Iupac Name | 5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT94 |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | O-methylated flavonoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H18O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URSUMOWUGDXZHU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.739 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 2.924 |
| Synonyms | 4', 5,6,7-Tetramethoxyflavone, 4',5,6,7-Tetramethoxy-flavone, 4',5,6,7-Tetramethoxyflavone, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, 5,6,7,4'-Tetramethoxyflavone, Flavone, 4',5,6,7-tetramethoxy-, Flavone, 4',5,6,7-tetramethoxy- (8ci), Flavone, 5,6,7,4'-tetramethoxy, Scutellarein 5,6,7,4'-tetramethyl ether, Scutellarein tetramethyl ether, Scutellarein tetramethylether, Tetra-O-methylscutellarein, Tetramethyl-O-scutellarin, Tetramethylscutellarein, 4’,5,6,7-Tetramethoxyflavone, 5,6,7,4’-Tetramethoxyflavone, 5-Methoxysalvigenin, Pectolinarigenin dimethyl ether, flavone, 4',5,6,7-tetramethoxy, flavone, 5,6,7,4'-tetramethoxy, o-tetramethyl scutellarein, scutellarein tetramethyl ether, scutellarein tetramethylether, scutellarin tetramethyl ether, tetra-o-methylscutellarein |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Tetramethylscutellarein |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.5425514000000007 |
| Inchi | InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 7-O-methylated flavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Ursina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ardisia Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Asplenium Nidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Astragalus Inopinatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Callicarpa Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Celmisia Petriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Chlorophytum Malayense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084 - 9. Outgoing r'ship
FOUND_INto/from Cirsium Helenioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Clausena Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
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FOUND_INto/from Pinus Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
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FOUND_INto/from Vernonia Serratuloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Volkameria Inermis (Plant) Rel Props:Reference:ISBN:9788172361150 - 54. Outgoing r'ship
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