Aureusidin
PubChem CID: 5281220
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Aureusidin, 38216-54-5, AUREUSIDIN(RG), Cernuin, (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one, U8B4XHN2DX, CHEBI:18149, 4,6,3',4'-Tetrahydroxyaurone, 480-70-6, (Z)-4,6,3',4'-TETRAHYDROXYAURONE, (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one, (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-3(2H)-benzofuranone, (2Z)-2-((3,4-DIHYDROXYPHENYL)METHYLENE)-4,6-DIHYDROXY-3(2H)-BENZOFURANONE (ACI), 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-4,6-DIHYDROXY-, (Z)-, Auresudidin, (2Z)-2-((3,4-DIHYDROXYPHENYL)METHYLENE)-4,6-DIHYDROXY-3(2H)-BENZOFURANONE, (2Z)-2-((3,4-dihydroxyphenyl)methylidene)-4,6-dihydroxy-1-benzofuran-3(2H)-one, (2Z)-2-((3,4-dihydroxyphenyl)methylidene)-4,6-dihydroxy-1-benzofuran-3-one, UNII-U8B4XHN2DX, CHEMBL593229, SCHEMBL4408442, WBEFUVAYFSOUEA-PQMHYQBVSA-N, DTXSID201028835, GLXC-03840, EX-A6751, HY-N9834, BDBM50439491, AKOS040762813, AKOS040763842, DA-50807, MS-24074, C08576, Q4822317, 2-(3,4-Dihydroxybenzylidene)-4,6-dihydroxybenzofuran-3(2H)-one, (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-4,6-dihydroxy-benzofuran-3-one, (Z)-2-(3,4-dihydroxybenzylidene)-4,6-dihydroxybenzofuran-3(2H)-one, (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-2,3-dihydro-1-benzofuran-3-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C(CC2CCCCC2)CC2CCCCC21 |
| Np Classifier Class | Aurones |
| Deep Smiles | OcccO/C=Ccccccc6)O))O))))))/C=O)c5cc9)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Aurone flavonoids |
| Scaffold Graph Node Level | OC1C(CC2CCCCC2)OC2CCCCC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q15078, Q13547, Q92769, Q9UBN7, Q969S8 |
| Iupac Name | (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT684, NPT685, NPT692 |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=C1C(=Cc2ccccc2)Oc2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBEFUVAYFSOUEA-PQMHYQBVSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.404 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.143 |
| Synonyms | aureusidin |
| Esol Class | Soluble |
| Functional Groups | c/C=C1OccC1=O, cO |
| Compound Name | Aureusidin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.8300389428571426 |
| Inchi | InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4- |
| Smiles | C1=CC(=C(C=C1/C=C\2/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 | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Antirrhinum Majus (Plant) Rel Props:Reference:ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Citrus Acida (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Citrus Aurantifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Citrus Bergamia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Citrus Chachiensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Citrus Decumana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Citrus Erythrosa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Citrus Funadoko (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Citrus Glauca (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Citrus Grandis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Citrus Hassaku (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Citrus Hybr (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Citrus Hystrix (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Citrus Indica (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Citrus Jambhiri (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Citrus Junos (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Citrus Latifolia (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Citrus Latipes (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Citrus Mitis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Citrus Nobilis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Citrus Pennivesiculata (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Citrus Pseudolimon (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Citrus Reshni (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Citrus Reticulate (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Citrus Rugulosa (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Citrus Sudachii (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Citrus Tachibana (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Citrus Tamurana (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Citrus Tangemna (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Citrus Tangerina (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Citrus Tankan (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Citrus X (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Citrus Yuko (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Citurs Limon (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Reference:ISBN:9788172362140