(E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one
PubChem CID: 11694761
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| Compound Synonyms | [6]-Isoshogaol, SCHEMBL8237444, CERFNDVNLCZPSE-JXMROGBWSA-N, (E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one, (e)-1-(4-hydroxy-3-methoxyphenyl) dec-3-en-5-one, 3-Decen-5-one, 1-(4-hydroxy-3-methoxyphenyl)-, (3E)- |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CERFNDVNLCZPSE-JXMROGBWSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -4.068 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.675 |
| Compound Name | (E)-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5818311999999994 |
| Inchi | InChI=1S/C17H24O3/c1-3-4-5-9-15(18)10-7-6-8-14-11-12-16(19)17(13-14)20-2/h7,10-13,19H,3-6,8-9H2,1-2H3/b10-7+ |
| Smiles | CCCCCC(=O)/C=C/CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all