(Z)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one
PubChem CID: 5281774
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| Compound Synonyms | SCHEMBL7804750, (Z)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GLDLHWDGRIFOKH-QINSGFPZSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -2.723 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.466 |
| Compound Name | (Z)-5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dec-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6641535714285696 |
| Inchi | InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-12,19-20H,3-7,9H2,1-2H3/b15-12- |
| Smiles | CCCCCC(=O)/C=C(/CCC1=CC(=C(C=C1)O)OC)\O |
| 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