Details of LAPPAOL-B
| IUPAC | (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one |
| Canonical Smiles | COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC4=C(C(=C3)OC)OC(C4CO)C5=CC(=C(C=C5)O)OC)OC |
| Inchi | KNSPNZVXPUCWMJ-WHNHDLKRSA-N |
| PubChem ID | 46173977 |
| Smiles | COc1cc(C2Oc3c(OC)cc(CC4C(=O)OCC4Cc4ccc(OC)c(OC)c4)cc3C2CO)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C2Oc3c%28OC%29cc%28CC4C%28%3DO%29OCC4Cc4ccc%28OC%29c%28OC%29c4%29cc3C2CO%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C2Oc3c%28OC%29cc%28CC4C%28%3DO%29OCC4Cc4ccc%28OC%29c%28OC%29c4%29cc3C2CO%29ccc1O could not be loaded.
| Class | Dibenzylbutyrolactone lignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |