5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
PubChem CID: 10040339
Connections displayed (default: 10).
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| Compound Synonyms | 5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone, 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one, 83161-96-0, CHEMBL490271, CHEBI:174841, DTXSID301228412, (+/-)-5-hydroxy-7-(4'-hydroxyphenyl)-1-phenyl-3-heptanone |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Description | From Alpinia officinarum (lesser galangal). 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309, P0DMM9 |
| Iupac Name | 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one |
| Prediction Hob | 1.0 |
| Class | Diarylheptanoids |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Linear diarylheptanoids |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UNMNJFPAJOHXMT-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.244 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.686 |
| Compound Name | 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.5249047636363633 |
| Inchi | InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2 |
| Smiles | C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Linear diarylheptanoids |
- 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: