8-Hydroxy-5,6,7-trimethoxychromen-2-one
PubChem CID: 5323870
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL465503, InChI=1/C12H12O6/c1-15-10-6-4-5-7(13)18-9(6)8(14)11(16-2)12(10)17-3/h4-5,14H,1-3H |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-5,6,7-trimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C12H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QGXDLWSOPOSJDE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.303 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.19 |
| Compound Name | 8-Hydroxy-5,6,7-trimethoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 252.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.478287511111111 |
| Inchi | InChI=1S/C12H12O6/c1-15-10-6-4-5-7(13)18-9(6)8(14)11(16-2)12(10)17-3/h4-5,14H,1-3H3 |
| Smiles | COC1=C(C(=C(C2=C1C=CC(=O)O2)O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Abelmoschus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Hibiscus Aculeatus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Hibiscus Cancellatus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Hibiscus Canescens (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Hibiscus Cannabinus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Hibiscus Esculentus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Hibiscus Ficulneus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hibiscus Furcatus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hibiscus Hirtus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Hibiscus Hispidissimus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Hibiscus Lampas (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Hibiscus Lunariifolius (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Hibiscus Manihot (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Hibiscus Micranthus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Hibiscus Mutabilis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Hibiscus Ovalifolius (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Hibiscus Pas (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Hibiscus Platanifolius (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Hibiscus Populneus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Hibiscus Rosasinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Hibiscus Schizopetalus (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Hibiscus Surattensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Hibiscus Syriacus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Hibiscus Taiwanensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Hibiscus Tiliaceus (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Hibiscus Tilliaceus (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Hibiscus Trionum (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Hibiscus Vitifolius (Plant) Rel Props:Reference: