| Phytochemical Name : Tectoridin |
| PCNDIDT0017 |
| Pubchem CID : 5281810 |
| Molecular formula: C22H22O11 |
| Canonical SMILES : COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Tectoridin|611-40-5|Shekanin|4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone|BRN 0068384|CHEBI:9428|Tectoridin (7CI,8CI)|UNII-968X515NZH|968X515NZH|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|4-18-00-03312 (Beilstein Handbook Reference)|5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-|TECTORIDIN [MI]|SCHEMBL241734|CHEMBL520214|TECTORIGENIN-7-GLUCOSIDE|DTXSID70209982|HY-N0791|BDBM50540975|MFCD01662715|AKOS015897164|CCG-269367|Tectorigenin 7-O-beta-D-glucopyranoside|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one|BS-17204|LS-39677|CS-0009803|S3818|T3724|A868796|TECTORIGENIN 7-O-.BETA.-D-GLUCOPYRANOSIDE|Q-100704|Q10860610|5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.010 |
| Log Po/w (XLOGP3) : 0.830 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.890 |
| Log Po/w (SILICOS-IT) : 0.420 |
| Consensus Log Po/w : 0.290 |