| Phytochemical Name : Skimmin |
| PCNDIDS0120 |
| Pubchem CID : 99693 |
| Molecular formula: C15H16O8 |
| Canonical SMILES : C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Skimmin|93-39-0|7-Hydroxycoumarin glucoside|Skimmine|UMBELLIFERONE GLUCOSIDE|UNII-H072F03PQN|H072F03PQN|7-Hydroxycoumarin-7-glucoside|Umbelliferone, beta-D-glucopyranoside|7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|NSC 267696|Glucopyranoside, umbelliferone, beta-D-|Coumarin, 7-(beta-D-glucopyranosyloxy)-|C15H16O8|7-(glucosyloxy)coumarin|C15-H16-O8|NSC-267696|SKIMIN|SKIMMIN [MI]|7-(beta-D-Glucopyranosyloxy)-2H-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 7-(.beta.-D-glucopyranosyloxy)-|SKIMMIN, (-)-|CHEMBL526377|SCHEMBL1944336|CHEBI:177698|DTXSID201018989|HY-N2263|Skimmin, >=90% (LC/MS-UV)|MFCD00017710|s9254|AKOS000277094|CCG-267743|COUMARIN 7-O-.BETA.-D-GLUCOSIDE|AC-35014|AS-83344|CS-0019592|A859802|UMBELLIFERONE 7-O-.BETA.-D-GLUCOPYRANOSIDE|Q-100893|Q15114711|2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-|7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one|7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one|7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.340 |
| Log Po/w (XLOGP3) : -0.700 |
| Log Po/w (WLOGP) : -1.030 |
| Log Po/w (MLOGP) : -0.970 |
| Log Po/w (SILICOS-IT) : -0.250 |
| Consensus Log Po/w : -0.320 |