| Phytochemical Name : Methysticin |
| PCNDIDM0126 |
| Pubchem CID : 5281567 |
| Molecular formula: C15H14O5 |
| Canonical SMILES : COC1=CC(=O)OC(C1)C=CC2=CC3=C(C=C2)OCO3 |
Synonymes : Methysticin|Kavatin|495-85-2|Kavahin|(+)-Methysticin|Methylsticin|NSC 112158|UNII-M832AIJ6HX|M832AIJ6HX|BRN 0091701|CCRIS 9370|DTXSID5033674|NSC-112158|(R)-5,6-Dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-2H-pyran-2-one|(2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one|(R-(E))-6-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-2H-pyran-2-one|CHEBI:6895|DTXCID3013674|5-19-10-00456 (Beilstein Handbook Reference)|4-Methoxy-6-(beta-(3',4'-methylenedioxyphenyl)vinyl)-5,6-dihydro-alpha-pyrone|(R,E)-6-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one|5-Hydroxy-3-methoxy-7-(3,4-(methylenedioxy)phenyl)-2,6-heptadienoic acid gamma-lactone|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (R)-|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-, (R-(E))-|2H-Pyran-2-one,6-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-, (6R)-|6-(3',4'-METHYLENEDIOXYSTYRYL)-4-METHOXY-5,6-DIHYDRO-2H-PYRAN-2-ONE|(6R)-6-[(1E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-2H-pyran-2-one|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-, (R)- (VAN)|(6R)-6-((1E)-2-(1,3-BENZODIOXOL-5-YL)ETHENYL)-5,6-DIHYDRO-4-METHOXY-2H-PYRAN-2-ONE|R-(+)-Methysticin|METHYSTICIN [MI]|CHEMBL579224|SCHEMBL1393508|Tox21_200901|MFCD21364778|NSC112158|AKOS030573530|Ethyl 2-(isobutoxycarbonylamino)acetate|R-(+)-Methysticin, analytical standard|NCGC00091903-01|NCGC00091903-02|NCGC00258455-01|AC-34499|CAS-495-85-2|LS-127432|C09952|A827756|Q3333720|(2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-2,3-dihydropyran-6-one|(6R)-6-(2-Benzo[1,3]Dioxol-5-ylethenyl)-4-Methoxy-5,6-Dihydropyran-2-one|(6R)-6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one|2H-Pyran-2-one,3-benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-, [R-(E)]-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)styryl]-, (+)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)styryl]-, (R)-|5-hydroxy-3-methoxy-7-[3,4-(methylenedioxy)phenyl]-2,6-heptadienoic acid delta-lactone |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.900 |
| Log Po/w (XLOGP3) : 2.360 |
| Log Po/w (WLOGP) : 2.170 |
| Log Po/w (MLOGP) : 1.470 |
| Log Po/w (SILICOS-IT) : 2.710 |
| Consensus Log Po/w : 2.320 |