| PDB CCD ID: | GEF |
| Number of entries in BioLiP: | 12 |
| Chemical formula: | C20 H22 O6 |
| InChI: | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1 |
| InChIKey: | HGXBRUKMWQGOIE-NSMLZSOPSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)C2C3COC(C3CO2)c4ccc(c(c4)OC)O | | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O | | CACTVS 3.385 | COc1cc(ccc1O)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4ccc(O)c(OC)c4 | | CACTVS 3.385 | COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4 |
|
| Name: | 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol;
(-)-pinoresinol |
| ChEMBL: | CHEMBL267963 |
| ZINC: | ZINC000001667643 |
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