| Phytochemical Name : 4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- |
| PCNDIDOT0844 |
| Pubchem CID : 6440408 |
| Molecular formula: C25H28O6 |
| Canonical SMILES : CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
Synonymes : Kuwanon E|68401-05-8|CHEMBL4173326|4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-|(2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one|(S)-2-[5-[(E)-3,7-Dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one|CHEBI:175402|DTXSID101106252|HY-N3514|BDBM50291290|AKOS032948935|CS-0023687|(2S)-2-[5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one|(S,E)-2-(5-(3,7-Dimethylocta-2,6-dien-1-yl)-2,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.750 |
| Log Po/w (XLOGP3) : 5.950 |
| Log Po/w (WLOGP) : 5.130 |
| Log Po/w (MLOGP) : 2.280 |
| Log Po/w (SILICOS-IT) : 4.950 |
| Consensus Log Po/w : 4.410 |