| Phytochemical Name : Dihydromethysticin |
| PCNDIDD0134 |
| Pubchem CID : 88308 |
| Molecular formula: C15H16O5 |
| Canonical SMILES : COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3 |
Synonymes : Dihydromethysticin|19902-91-1|(+)-Dihydromethysticin|7,8-Dihydromethysticin|Methysticin, 7,8-dihydro-|Dihydromethysticin (VAN)|NSC 112159|UNII-FZ66MQ73GS|FZ66MQ73GS|2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-, (6S)-|CCRIS 9368|CHEBI:4573|2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (S)-|NSC-112159|(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethyl)-, (S)-|Pseudomethysticin|(6S)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-2H-pyran-2-one|(S)-6-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one|(2S)-2-(2-(1,3-BENZODIOXOL-5-YL)ETHYL)-4-METHOXY-2,3-DIHYDROPYRAN-6-ONE|2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)phenethyl]-, (S)-|2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-, (S)-|Methysticin,8-dihydro-|CHEMBL576066|MEGxp0_001718|SCHEMBL14524443|ACon0_000957|ACon1_001371|DTXSID601314143|HY-N0921|MFCD00221731|NSC112159|CCG-208398|CS-4245|NCGC00180578-01|AC-34189|AS-79324|(+)-Dihydromethysticin, analytical standard|LS-127431|FT-0700034|(+)-Dihydromethysticin(+)-Dihydromethysticin|C09926|SR-05000002272|J-018462|Q-100244|Q5276438|SR-05000002272-2|BRD-K87171303-001-01-2|2H-Pyran-2-one,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-, (S)-|2H-Pyran-2-one,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)phenethyl]-, (S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.800 |
| Log Po/w (XLOGP3) : 2.760 |
| Log Po/w (WLOGP) : 3.100 |
| Log Po/w (MLOGP) : 1.760 |
| Log Po/w (SILICOS-IT) : 2.880 |
| Consensus Log Po/w : 2.460 |