| Phytochemical Name : Kadsurenone |
| PCNDIDK0005 |
| Pubchem CID : 122159 |
| Molecular formula: C21H24O5 |
| Canonical SMILES : CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
Synonymes : kadsurenone|95851-37-9|(+)-Kadsurenone|DZY9CV5VH7|CHEBI:6097|CHEMBL296958|6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-, (2S,3R,3aS)-|AC1L3U3M|Kadsurenone A|Kadsurenone, (+)-|UNII-DZY9CV5VH7|SureCN1110789|SCHEMBL1110789|DTXSID90914788|BDBM50001747|HY-N10663|PDSP1_000731|PDSP2_000721|(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one|CS-0633861|Q27107065|5-Allyl-2-(3,4-dimethoxy-phenyl)-3a-methoxy-3-methyl-3,3a-dihydro-2H-benzofuran-6-one|(2S,3R,3aS)-2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propen-1-yl)-6(2H)-benzofuranone|(2S,3R,3aS)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one|(Kadsurenone)5-Allyl-2-(3,4-dimethoxy-phenyl)-3a-methoxy-3-methyl-3,3a-dihydro-2H-benzofuran-6-one|2-(3,4-Dimethoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one|6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-, (2S-(2alpha,3beta,3aalpha))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.760 |
| Log Po/w (XLOGP3) : 3.160 |
| Log Po/w (WLOGP) : 3.440 |
| Log Po/w (MLOGP) : 1.590 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 3.190 |