3-Hydroxy-3',4',5,7-tetramethoxyflavone
PubChem CID: 97142
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| Compound Synonyms | 1244-78-6, 3-Hydroxy-3',4',5,7-tetramethoxyflavone, 3-Hydroxy-3,4, 5,7-tetramethoxyflavone, Averionol, Quercetin 5,7,3',4'-tetramethyl ether, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one, 3',4',5,7-Tetramethylquercetin, UUX3TU2JXT, Flavone, 3-hydroxy-3',4',5,7-tetramethoxy-, NSC102049, NSC-102049, 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one, CHEBI:85124, QUERCETIN TETRAMETHYL (5,7,3',4') ETHER, 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-, NSC 102049, Spectrum_000784, SpecPlus_000312, UNII-UUX3TU2JXT, Spectrum2_000711, Spectrum3_001253, Spectrum4_001473, Spectrum5_000145, BSPBio_002786, KBioGR_002045, KBioSS_001264, SPECTRUM300538, CHEMBL74675, DivK1c_006408, SPBio_000921, SCHEMBL3135319, Flavone,4',5,7-tetramethoxy-, KBio1_001352, KBio2_001264, KBio2_003832, KBio2_006400, KBio3_002286, DTXSID40154319, CCG-38364, LMPK12112771, AKOS005145745, 3-Hydroxy-3',5,7-tetramethoxyflavone, SDCCGMLS-0066515.P001, NCGC00095598-01, NCGC00095598-02, NCGC00178472-01, NCI60_000056, 3-hydroxy-5,7,3',4'-tetramethoxyflavone, Quercetin tetramethyl(3',4',5,7) ether, DS-015043, 3-Hydroxy-3',4', 5,7-tetramethoxyflavone, G78514, QUERCETIN 3',4',5,7-TETRAMETHYL ETHER, A805642, SR-05000002615, SR-05000002615-1, BRD-K08825053-001-02-9, Q27158341, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-oxidanyl-chromen-4-one, 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-1-benzopyran-4-one, 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-1-benzopyran-4-one, 4H-1-benzopyran-4-one,2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-, 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy- |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9BUF5, P02545, B2RXH2, P55210, P10636, P51450, P02791, P04637, P29466, P08684, Q9UNQ0, P33527, Q9NUW8 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT48, NPT1226, NPT51, NPT539, NPT277, NPT109 |
| Xlogp | 2.9 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAASNKNLMQBKFV-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.462 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.691 |
| Compound Name | 3-Hydroxy-3',4',5,7-tetramethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.661329815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all