Chromone
PubChem CID: 10286
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHROMONE, 4H-Chromen-4-one, 491-38-3, 4H-1-Benzopyran-4-one, 4-Chromone, Chromen-4-one, 1-Benzopyran-4-one, Benzo-gamma-pyrone, 1,4-benzopyrone, 4H-Benzo(b)pyran-4-one, 4-oxo-4H-1-benzopyran, Benzopyrone, Benz-g-pyrone, EINECS 207-737-9, BRN 0114087, UNII-20C556MJ76, CHEBI:72013, MFCD00024064, 4H-benzo[b]pyran-4-one, 20C556MJ76, DTXSID40197680, 5-17-10-00139 (Beilstein Handbook Reference), benzopyran-4-one, Chromone-, 4-chromenone, Benzo-g-pyrone, benzo-, A-pyrone, Benzo-I3-pyrone, chromone, 12, Chromone, 99%, Benzo-.gamma.-pyrone, 4H-Chromen-4-one #, SCHEMBL37994, MLS002473394, CHEMBL13311, FC13, SCHEMBL7566748, BDBM24783, DTXCID00120171, STL570254, XH0839, AKOS000521772, CS-W005942, FC54286, GS-6824, SMR001397486, SY020315, DB-051603, NS00031861, EN300-80154, H10070, AF-407/03086014, Q420156, Z1218937140 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | O=cccocc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzopyrans |
| Description | Isol from Ye Hao (Carum carvi). Chromone is found in fats and oils and herbs and spices. |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P27338, P21397, Q2KIM0, C0HJB3 |
| Iupac Name | chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT582, NPT261 |
| Xlogp | 1.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H6O2 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OTAFHZMPRISVEM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.07 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.538 |
| Synonyms | 1-Benzopyran-4-one, 1,4-benzopyrone, 4-Chromone, 4-oxo-4H-1-Benzopyran, 4H-Benzo(b)pyran-4-one, 4H-Chromen-4-one, Benz-g-pyrone, Benzo-g-pyrone, Benzo-gamma-pyrone, Benzo-γ-pyrone, Benzopyrone, Chromone, 1,4-Benzopyrone, 4H-benzo(b)Pyran-4-one, chromen-4-one, chromone |
| Substituent Name | Chromone, Pyranone, Benzenoid, Pyran, Heteroaromatic compound, Oxacycle, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | c=O, coc |
| Compound Name | Chromone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.14 |
| 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 | -1.5574262727272727 |
| Inchi | InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H |
| Smiles | C1=CC=C2C(=C1)C(=O)C=CO2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Chromones |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Abroma Radix (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ammi Visnaga (Plant) Rel Props:Reference:ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Andrographis Herba (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Araiostegia Divaricata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Atista Radix (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Bauhinia Divaricata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Calostephane Divaricata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Capparis Divaricata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Caryopteris Divaricata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Chrysanthemum Sinense (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Codonopsis Radix (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Corydalis Bungeanae (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Echinopsis Radix (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Epaltes Divaricata (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Ephedra Herba (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Ervatmia Divaricata (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eurybia Divaricata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference:ISBN:9788172360481 - 19. Outgoing r'ship
FOUND_INto/from Hedyotis Diffusae (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Hemerocallis Radix (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Iris Domestica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21580922 - 22. Outgoing r'ship
FOUND_INto/from Larrea Divaricata (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Ligusticum Brachylobum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Ligusticum Elatum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Ligusticum Porteri (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Ligusticum Scoticum (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Ligustrum Sinense (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Limonium Sinense (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Myroxylon Balsamum (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Myroxylon Pereirae (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Salvia Divaricata (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Schefflera Divaricata (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Reference:ISBN:9788172360481 - 41. Outgoing r'ship
FOUND_INto/from Skimmia Laureola (Plant) Rel Props:Reference:ISBN:9788172363093 - 42. Outgoing r'ship
FOUND_INto/from Tabernaemontana Divaricata (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Tetracentron Sinense (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Virgilia Divaricata (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Reference: