| Phytochemical Name : Irisquinone |
| PCNDIDI0033 |
| Pubchem CID : 5318483 |
| Molecular formula: C24H38O3 |
| Canonical SMILES : CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC |
Synonymes : Irisquinone|56495-82-0|Irisquinone A|Pallasone|UNII-GW0P1VS52W|2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione|BRN 2005301|GW0P1VS52W|Iq-7611|2-[10(Z)-Heptadecenyl]-6-methoxy-1,4-benzoquinone|6-Methoxy-2-delta(sup 10')-cis-heptadecenyl-1,4-benzoquinone|2,5-Cyclohexadiene-1,4-dione, 2-(10-heptadecenyl)-6-methoxy-, (Z)-|NSC614642|D0CZ1A|IRISQUINONE [WHO-DD]|CHEMBL461167|SCHEMBL13246144|DTXSID401318175|HY-N7147|NSC-614642|LS-56279|CS-0103044|2,4-dione, 2-(10-heptadecenyl)-6-methoxy-, Z-|Q27279311|2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(10Z)-10-HEPTADECEN-1-YL-6-METHOXY- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.060 |
| Log Po/w (XLOGP3) : 8.210 |
| Log Po/w (WLOGP) : 6.630 |
| Log Po/w (MLOGP) : 3.540 |
| Log Po/w (SILICOS-IT) : 7.540 |
| Consensus Log Po/w : 6.200 |