Syringetin
PubChem CID: 5281953
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| Compound Synonyms | Syringetin, 4423-37-4, 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone, 3',5'-O-Dimethylmyricetin, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one, CHEBI:18215, J68JG79B9W, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Myricetin-3',5'-dimethyl ether, DTXSID60196074, 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone, 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one, MYRICETIN-3,5-DIMETHYL ETHER, 3,5-DIMETHOXY-3,5,7,4-TETRAHYDROXYFLAVONE, 3',5'-dimethylmyricetin, FLAVONE, 3,4,5,7-TETRAHYDROXY-3,5-DIMETHOXY-, myricetin 3',5'-dimethyl ether, DIBOA trihexose, 3,5,7,4'-tetrahydroxy-3',5'dimethoxyflavone, MFCD00017449, UNII-J68JG79B9W, 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone, SCHEMBL810981, CHEMBL489142, DTXCID70118565, HY-N8920, BDBM50025603, LMPK12112498, AKOS030530648, FS66069, MS-25319, 1ST159719, DB-051197, CS-0149371, NS00116307, E88713, 3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavone, Q3509026, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)chromen-4-one, 3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone, 3',5'-O-Dimethylmyricetin, Myricetin-3',5'-dimethyl ether |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 126.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COcccccc6O))OC))))cocccO)ccc6c=O)c%10O))))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P06239, P37231, Q15118 |
| Iupac Name | 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O8 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZMAPBJVXOGOFT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.817 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.095 |
| Synonyms | 3',5'-O-Dimethylmyricetin, 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone, 3,5,7,4'-Tetrahydroxy-3',5'dimethoxyflavone, 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone, 3,4’,5,7-Tetrahydroxy-3’,5’-dimethoxyflavone, 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one, Myricetin-3',5'-dimethyl ether, Myricetin-3’,5’-dimethyl ether, syringetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Syringetin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 346.3 |
| 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 | -3.4470042000000003 |
| Inchi | InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Flavonols |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Sachalinense (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Elaeocarpus Serratus (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Loropetalum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21401099 - 7. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Reference:ISBN:9780387706375