Details of HELISORIN
| IUPAC | [3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate |
| Canonical Smiles | COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC3C4C(C2C(=O)C3(C5=CC(=C(C=C45)O)O)O)C(=O)OC(CC6=CC(=C(C=C6)O)O)C(=O)OC |
| Inchi | RHXAGMUUCXBJAP-VMPITWQZSA-N |
| PubChem ID | 100935400 |
| Smiles | COC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1cc2c3c(C(O)OC(Cc4ccc(O)c(O)c4)C(=O)OC)c1C(O)C2(O)c1cc(O)c(O)cc1-3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C%28Cc1ccc%28O%29c%28O%29c1%29OC%28%3DO%29C%3DCc1cc2c3c%28C%28O%29OC%28Cc4ccc%28O%29c%28O%29c4%29C%28%3DO%29OC%29c1C%28O%29C2%28O%29c1cc%28O%29c%28O%29cc1-3/file?format=sdf&get3d=True -- COC%28%3DO%29C%28Cc1ccc%28O%29c%28O%29c1%29OC%28%3DO%29C%3DCc1cc2c3c%28C%28O%29OC%28Cc4ccc%28O%29c%28O%29c4%29C%28%3DO%29OC%29c1C%28O%29C2%28O%29c1cc%28O%29c%28O%29cc1-3 could not be loaded.
| Class | Neolignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |
