(4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
PubChem CID: 5318278
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| Compound Synonyms | 79559-60-7, (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one, (4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one, 7-(4-Hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one, CHEMBL594765, CHEBI:66034, (E)-7-(4-hydroxy-3-methoxy-phenyl)-1-phenyl-hept-4-en-3-one, 7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one, 7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one (DPHB), BRN 5760976, 4-Hepten-3-one, 7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-, 7-(4''-Hydroxy-3''-methoxyphenyl)-1-phenyl-4-hepten-3-one, SCHEMBL15941377, HY-N8976, BDBM50304068, AKOS030532489, AKOS040761236, FS-8251, 478314-07-7, CS-0149459, 7-(4-Hydroxy-3-methoxyphenyl)-1-phenyl-4-hepten-3-, Q27134538, 7-(4-Hydroxy-3-methoxy-phenyl)-1-phenyl-hept-4-en-3-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O42713 |
| Iupac Name | (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOHMOWQGVDSLNY-UXBLZVDNSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.567 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.287 |
| Compound Name | (4E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.01022355652174 |
| Inchi | InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+ |
| Smiles | COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC=CC=C2)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;npass_chem_all