(3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
PubChem CID: 44144280
Connections displayed (default: 10).
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| Compound Synonyms | MLS002473246, CHEMBL1475427, CHEBI:228470, HMS2198G14, NCGC00247503-01, SMR001397333, Q63392623, (3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one, (3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q13148 |
| Iupac Name | (3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGKDFNDHPXVXHW-CYBMUJFWSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.33 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.725 |
| Compound Name | (3R)-8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8335618210526317 |
| Inchi | InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2/t13-/m1/s1 |
| Smiles | C1[C@@H](OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Agathis Macrophylla (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Alstonia Macrophylla (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
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FOUND_INto/from Boerhavia Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Callicarpa Macrophylla (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Chionanthus Macrophylla (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Chonemorpha Macrophylla (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Clethra Macrophylla (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Cornus Macrophylla (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Cunonia Macrophylla (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Cuscuta Chinensis (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 36. Outgoing r'ship
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FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
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FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
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FOUND_INto/from Leea Macrophylla (Plant) Rel Props:Reference: - 59. Outgoing r'ship
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FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Maesa Macrophylla (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Reference: - 65. Outgoing r'ship
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FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 67. Outgoing r'ship
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FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 84. Outgoing r'ship
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