4'-Hydroxydehydrokawain
PubChem CID: 10243535
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| Compound Synonyms | 39986-86-2, P-HYDROXY-5,6-DEHYDROKAWAIN, 4'-Hydroxydehydrokawain, 6-[(e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one, 4/'-Hydroxy-5,6-dehydrokawain, DTXSID10193038, (E)-6-(4-Hydroxystyryl)-4-methoxy-2H-pyran-2-one, 2H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-, 6-((E)-2-(4-hydroxyphenyl)ethenyl)-4-methoxypyran-2-one, CHEMBL464111, SCHEMBL9016266, DTXCID20115529, HY-N1899, AKOS030537194, FS-7905, DA-66692, CS-0017857, G90350 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWYHYOYHRIWSJU-QPJJXVBHSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -2.48 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.966 |
| Compound Name | 4'-Hydroxydehydrokawain |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.5110585333333333 |
| Inchi | InChI=1S/C14H12O4/c1-17-13-8-12(18-14(16)9-13)7-4-10-2-5-11(15)6-3-10/h2-9,15H,1H3/b7-4+ |
| Smiles | COC1=CC(=O)OC(=C1)/C=C/C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all