(4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
PubChem CID: 11895692
Connections displayed (default: 10).
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| Compound Synonyms | 426828-40-2, (4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, MEGxp0_001756, CHEMBL2323724, SCHEMBL13907640, DTXSID201170492 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P56817 |
| Iupac Name | (Z)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C21H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PNTMRHGYQCMNCZ-SSZFMOIBSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -2.496 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.878 |
| Compound Name | (4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.233774288888888 |
| Inchi | InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-13,22,24-25H,3-4,7-8H2,1-2H3/b16-13- |
| Smiles | COC1=C(C=CC(=C1)CC/C(=C/C(=O)CCC2=CC(=C(C=C2)O)OC)/O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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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
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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: