(E)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
PubChem CID: 16730371
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| Compound Synonyms | SCHEMBL13973506 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C19H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPNZMFIZAHJVFR-VAWYXSNFSA-N |
| Fcsp3 | 0.5263157894736842 |
| Rotatable Bond Count | 11.0 |
| Compound Name | (E)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.199 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 320.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 320.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.775903278260869 |
| Inchi | InChI=1S/C19H28O4/c1-3-4-5-6-7-16(20)11-12-17(21)10-8-15-9-13-18(22)19(14-15)23-2/h9,11-14,16,20,22H,3-8,10H2,1-2H3/b12-11+ |
| Smiles | CCCCCCC(/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients