Details of Centaurein
| IUPAC | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Canonical Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC)O |
| Inchi | GGMCFLXPZMBJMV-NPVWYNPDSA-N |
| PubChem ID | 5489090 |
| Smiles | COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c(=O)c2OC)cc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1ccc%28-c2oc3cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29c%28OC%29c%28O%29c3c%28%3DO%29c2OC%29cc1O/file?format=sdf&get3d=True -- COc1ccc%28-c2oc3cc%28O%5BC%40%40H%5D4O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D4O%29c%28OC%29c%28O%29c3c%28%3DO%29c2OC%29cc1O could not be loaded.
| Class | Flavonols |
| Super Class | Flavonoids |
| Pathways | Shikimates and Phenylpropanoids |