Gossypetin
PubChem CID: 5280647
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| Compound Synonyms | Gossypetin, 489-35-0, Articulatidin, Equisporol, 3,5,7,8,3',4'-Hexahydroxyflavone, 3,3',4',5,7,8-Hexahydroxyflavone, UNII-SET4M23ZTM, 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one, SET4M23ZTM, 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one, 8-hydroxyquercetin, CHEBI:16400, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-, CHEMBL253570, DTXSID50197631, 8-hydroxy-quercetin, C.I.-75750, FLAVONE, 3,3',4',5,7,8-HEXAHYDROXY-, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one, MFCD00017680, BSPBio_002552, SCHEMBL157033, SPECTRUM1505143, BDBM26655, DTXCID10120122, LMPK12113231, AKOS024283047, AT33743, CCG-231029, FH46598, NCGC00096031-01, NCGC00096031-02, NCGC00178604-01, BP-10444, MS-24692, DB-051591, HY-119917, CS-0078364, C04109, Gossypetin,3,3',4',5,7,8-Hexahydroxyflavone, SR-05000002577, Q3036428, SR-05000002577-1, BRD-K06692906-001-01-6, 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | Occcccc6O))))coccO)cO)ccc6c=O)c%10O))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11309, P11511, B4URF0, P10481, n.a., B2RXH2, P27695, P10636, P00352, P97697, P16050, Q03164, O97447, P15428, P06280, P11473, Q9UBT6, O94782, Q86831, Q9NUW8, P05067, P53355, Q15118, Q16762, Q7BGE6, P61604, P0A6F5, P43351, P09467 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT441, NPT48, NPT49, NPT51, NPT94, NPT792, NPT151, NPT501, NPT78, NPT1721, NPT1274, NPT2266 |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O8 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRRAGUMVDQQZIY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.661 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.838 |
| Synonyms | gossypetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Gossypetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 318.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.036752008695652 |
| Inchi | InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Manihot (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Drosera Peltata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9780387706375; ISBN:9788172362300 - 3. Outgoing r'ship
FOUND_INto/from Evodia Rutaecarpa (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Reference:ISBN:9788171360536 - 5. Outgoing r'ship
FOUND_INto/from Haldina Cordifolia (Plant) Rel Props:Reference:ISBN:9788172361792 - 6. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Reference:ISBN:9788172361266 - 7. Outgoing r'ship
FOUND_INto/from Hibiscus Surattensis (Plant) Rel Props:Reference:ISBN:9780387706375 - 8. Outgoing r'ship
FOUND_INto/from Hibiscus Tilliaceus (Plant) Rel Props:Reference:ISBN:9770972795006 - 9. Outgoing r'ship
FOUND_INto/from Hibiscus Vitifolius (Plant) Rel Props:Reference:ISBN:9770972795006 - 10. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Reference:ISBN:9788185042084 - 11. Outgoing r'ship
FOUND_INto/from Modiola Caroliniana (Plant) Rel Props:Reference:ISBN:9788172362461 - 12. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Reference:ISBN:9770972795006 - 13. Outgoing r'ship
FOUND_INto/from Phedimus Kamtschaticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pyrrosia Lingua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Rhododendron Anthopogonoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Rhododendron Micranthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Rhododendron Ponticum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 22. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Thespesia Populnea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 24. Outgoing r'ship
FOUND_INto/from Urena Lobata (Plant) Rel Props:Reference:ISBN:9788172363093 - 25. Outgoing r'ship
FOUND_INto/from Waltheria Indica (Plant) Rel Props:Reference:ISBN:9788172363093