Details of AVICULIN
| IUPAC | (2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| Canonical Smiles | CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O |
| Inchi | FPJFPMQEUVMUKU-CDDCGRQRSA-N |
| PubChem ID | 10391477 |
| Smiles | COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2COC2OC(C)C(O)C(O)C2O)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C2c3cc%28O%29c%28OC%29cc3CC%28CO%29C2COC2OC%28C%29C%28O%29C%28O%29C2O%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C2c3cc%28O%29c%28OC%29cc3CC%28CO%29C2COC2OC%28C%29C%28O%29C%28O%29C2O%29ccc1O could not be loaded.
| Class | Arylnaphthalene and aryltetralin lignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |