(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
PubChem CID: 44560893
Connections displayed (default: 10).
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| Compound Synonyms | CHEBI:70692, (-)-(3S)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol, CHEMBL459648, DTXSID40873811, 1062082-82-9, Q27139023, (3s)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6e)-6-hepten-3-ol, 4-[(3S,6E)-3-Hydroxy-7-phenyl-6-hepten-1-yl]-1,2-benzenediol, 4-[(3S,6E)-3-hydroxy-7-phenylhept-6-en-1-yl]benzene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(E,3S)-3-hydroxy-7-phenylhept-6-enyl]benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OELWYQGRQUQQPD-AUNFYEFLSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.483 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.346 |
| Compound Name | (-)-(3S)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol |
| Prediction Hob Swissadme | 0.0 |
| 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 | 1.0 |
| Esol | -4.258704763636364 |
| Inchi | InChI=1S/C19H22O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-4,6-8,11,13-14,17,20-22H,5,9-10,12H2/b8-4+/t17-/m0/s1 |
| Smiles | C1=CC=C(C=C1)/C=C/CC[C@@H](CCC2=CC(=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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