7-(6'R-hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin
PubChem CID: 13965525
Connections displayed (default: 10).
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| Compound Synonyms | 118584-19-3, 2H-1-Benzopyran-2-one, 7-[[(2E,6R)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-, CHEMBL2346911, 7-(6'R-hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin, 7-(6'R-hydroxy-3',7'-, DTXSID301135396, BDBM50490813, AKOS040763259, dimethylocta-2',7'-dienyloxy)coumarin, 7-[[(2E,6R)-6-Hydroxy-3,7-dimethyl-2,7-octadienyl]oxy]-2H-1-benzopyran-2-one, F92940, 7-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one, 7-[[(2E,6R)-6-Hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-2H-1-benzopyran-2-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 492.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q9Y6M9, Q8BW75, Q64133 |
| Iupac Name | 7-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OWAQHJLCKMIPKB-IDKBZEPQSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.061 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.097 |
| Compound Name | 7-(6'R-hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 314.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2617013304347826 |
| Inchi | InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+/t17-/m1/s1 |
| Smiles | CC(=C)[C@@H](CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Folia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Crataeva Marmelos (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Grewia Flavescens (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Sophora Chrysophylla (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Sophora Davidii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Sophora Exigua (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sophora Franchetiana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Sophora Glauca (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Sophora Mollis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Sophora Secundiflora (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sophora Tetraptera (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Sophora Tometosa (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Sophora Velutina (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Sophora Viciifolia (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Sophora Wightii (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Xanthophyllum Flavescens (Plant) Rel Props:Reference: