| Phytochemical Name : Licopyranocoumarin |
| PCNDIDL0053 |
| Pubchem CID : 122851 |
| Molecular formula: C21H20O7 |
| Canonical SMILES : CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO |
Synonymes : Licopyranocoumarin|117038-80-9|UNII-4X8VZO798F|4X8VZO798F|GU-7|GU 7|121249-16-9|7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one|2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-, (+)-|3-(2,4-dihydroxyphenyl)-8-(hydroxymethyl)-5-methoxy-8-methyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one|3-(3,4-Dihydroxyphenyl)-8-hydroxymethyl-8-methyl-5-methoxy-6,7-dihydro-2H,8H-benzo(1,2-b-5,4-b')dipyran-2-one|CHEMBL597425|SCHEMBL2221932|DTXSID20922255|CHEBI:175896|LMPK12160021|AKOS040761984|HY-119804|CS-0078048|Q27260633|2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 3-(2,4-dihydroxyphenyl)-7,8-dihydro-8-(hydroxymethyl)-5-methoxy-8-methyl-|3-(2,4-Dihydroxyphenyl)-8-(hydroxymethyl)-5-methoxy-8-methyl-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.610 |
| Log Po/w (XLOGP3) : 2.740 |
| Log Po/w (WLOGP) : 2.960 |
| Log Po/w (MLOGP) : 1.400 |
| Log Po/w (SILICOS-IT) : 3.750 |
| Consensus Log Po/w : 2.690 |