CID 13347321
PubChem CID: 13347321
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| Compound Synonyms | 5-Hydroxy-1,7-diphenyl-6-hepten-3-one, 87095-74-7, (5R)-trans-1,7-diphenyl-5-hydroxy-6-hepten-3-one, (E)-5-hydroxy-1,7-diphenylhept-6-en-3-one, MSK164320, AKOS022184657, 5-Hydroxy-1,7-diphenyl-6-hepten-3-one(5R)-trans-1,7-diphenyl-5-hydroxy-6-hepten-3-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5-hydroxy-1,7-diphenylhept-6-en-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C19H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEQGOKAKPXXESR-ACCUITESSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 7.0 |
| Compound Name | CID 13347321 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.146 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 280.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5929325428571426 |
| Inchi | InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,18,20H,12,14-15H2/b13-11+ |
| Smiles | C1=CC=C(C=C1)CCC(=O)CC(/C=C/C2=CC=CC=C2)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients