(4e,6r)-6-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
PubChem CID: 101839117
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| Compound Synonyms | (4e,6r)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,6R)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJLYJIBMHZUJKB-ZGKFYVQTSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.507 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.667 |
| Compound Name | (4e,6r)-6-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6082303999999996 |
| Inchi | InChI=1S/C20H22O4/c1-24-20-14-16(8-12-19(20)23)13-18(22)11-10-17(21)9-7-15-5-3-2-4-6-15/h2-6,8,10-12,14,18,22-23H,7,9,13H2,1H3/b11-10+/t18-/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)C[C@H](/C=C/C(=O)CCC2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients