Details of Amoenin
| IUPAC | (3R,4R)-3-[4-hydroxy-3-[2-hydroxy-5-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxyphenyl]-5-methoxyphenyl]-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-ol |
| Canonical Smiles | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C3(COC(C3CO)C4=CC(=C(C=C4)O)OC)O)OC)O)C5C(C(CC6=CC(=C(C=C56)O)OC)CO)CO |
| Inchi | RFUUQKXDVDMMSX-RZSVOACUSA-N |
| PubChem ID | 101831582 |
| Smiles | COc1cc(C2OCC(O)(c3cc(OC)c(O)c(-c4cc(C5c6cc(O)c(OC)cc6CC(CO)C5CO)cc(OC)c4O)c3)C2CO)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C2OCC%28O%29%28c3cc%28OC%29c%28O%29c%28-c4cc%28C5c6cc%28O%29c%28OC%29cc6CC%28CO%29C5CO%29cc%28OC%29c4O%29c3%29C2CO%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C2OCC%28O%29%28c3cc%28OC%29c%28O%29c%28-c4cc%28C5c6cc%28O%29c%28OC%29cc6CC%28CO%29C5CO%29cc%28OC%29c4O%29c3%29C2CO%29ccc1O could not be loaded.
| Class | Arylnaphthalene and aryltetralin lignans, Neolignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |