Details of Herpetetrone
| IUPAC | 2-[5-[(3S,3aR,6S,6aR)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one |
| Canonical Smiles | COC1=CC(=CC(=C1O)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC6=C(C(=C5)OC)OC(C6CO)C7=CC(=C(C=C7)O)OC |
| Inchi | FZLRBYMBYSTTFS-MKSRZFMYSA-N |
| PubChem ID | 101890596 |
| Smiles | COc1cc(C(=O)C(CO)c2cc(C3OC[C@@H]4[C@@H](c5cc(OC)c6c(c5)C(CO)C(c5ccc(O)c(OC)c5)O6)OC[C@H]34)cc(OC)c2O)ccc1O |
| Class | Furofuranoid lignans, Neolignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |