1-(4-Hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol
PubChem CID: 10449321
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL491792, NCGC00385713-01!1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGNVNVJXTWDKHG-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.092 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.972 |
| Compound Name | 1-(4-Hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7121288000000003 |
| Inchi | InChI=1S/C20H26O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18,21-23H,7-8,10-11,14H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)CCC(CC(CCC2=CC=CC=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Allhugas (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Alpinia Bracteata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Alpinia Calcarata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Alpinia Flabellata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Alpinia Formosana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Alpinia Hainanensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Alpinia Japonica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Alpinia Malaccensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Alpinia Nigra (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Alpinia Nutans (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Alpinia Pinnanensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Alpinia Zerumbet (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Camphora Officinarum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Ceterach Officinarum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Euphorbia Officinarum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Mandragora Officinarum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Pilosella Officinarum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Piper Officinarum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Renealmia Alpinia (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Saccharum Officinarum (Plant) Rel Props:Reference: