Flavan-3-ol
PubChem CID: 3707243
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Flavan-3-ol, 3-flavanol, 2-phenyl-3,4-dihydro-2H-chromen-3-ol, 1481-83-0, UNII-35HDD3NRIE, 35HDD3NRIE, 2H-1-Benzopyran-3-ol, 3,4-dihydro-2-phenyl-, 3,4-Dihydro-2-phenyl-2H-1-benzopyran-3-ol, 3-Flavan-ol, Favan-3-ol, SCHEMBL20116, CHEBI:79987, OEIJRRGCTVHYTH-UHFFFAOYSA-N, Epicatechin 3-O-(4-methylgallic acid), Epicatechin 3-O-(4-O-methylgallic acid), Q27149144 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-3,4-dihydro-2H-chromen-3-ol |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Xlogp | 2.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C15H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OEIJRRGCTVHYTH-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.272 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.249 |
| Synonyms | 3,4-Dihydro-2-phenyl-2H-1-benzopyran-3-ol, 3-Flavan-ol, 3-Flavanol, 3-Flavanol (mixed isomers) |
| Compound Name | Flavan-3-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.4884579411764705 |
| Inchi | InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2 |
| Smiles | C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavan-3-ols |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Coreanum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aconitum Palmatum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aconitum Tanguticum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cynoglossum Officinale (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dracocephalum Tanguticum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Euphrasia Officinale (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Guaiacum Officinale (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hyssopus Officinale (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Lithospermum Officinale (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Peucedanum Officinale (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Rheum Australe (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Rheum Emodi (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Rheum Hotaoense (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Rheum Maximowiczii (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Rheum Moorcrofianum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Rheum Moorcroftianum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Rheum Nanum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Rheum Qinlingense (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Rheum Rhaponticum (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Rheum Sp (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Rheum Spiciforme (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Rheum Webbianum (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Rheum Wittrocki (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Schoenocaulon Officinale (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Sisymbrium Officinale (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Symphytum Officinale (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Taraxacum Coreanum (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference: