Details of ISOTILIARINE
| IUPAC | 16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol |
| Canonical Smiles | CN1CCC2=CC(=C3C4=C2C1CC5=CC(=C(C=C5)OC)C6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)O)OC |
| Inchi | DOUULZLWVARYRD-UHFFFAOYSA-N |
| PubChem ID | 630659 |
| Smiles | COc1ccc2cc1-c1cc(ccc1O)CC1NCCc3cc4c(cc31)Oc1c(c(OC)cc3c1C(C2)N(C)CC3)O4 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1ccc2cc1-c1cc%28ccc1O%29CC1NCCc3cc4c%28cc31%29Oc1c%28c%28OC%29cc3c1C%28C2%29N%28C%29CC3%29O4/file?format=sdf&get3d=True -- COc1ccc2cc1-c1cc%28ccc1O%29CC1NCCc3cc4c%28cc31%29Oc1c%28c%28OC%29cc3c1C%28C2%29N%28C%29CC3%29O4 could not be loaded.
| Class | Isoquinoline alkaloids |
| Super Class | Tyrosine alkaloids |
| Pathways | Alkaloids |
