Details of THALSIMINE
| IUPAC | (14S)-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-tridecaene |
| Canonical Smiles | CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5 |
| Inchi | YWNUNVSMOKMJMG-LJAQVGFWSA-N |
| PubChem ID | 362568 |
| Smiles | COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1ccc2cc1Oc1ccc%28cc1%29CC1%3DNCCc3cc%28OC%29c%28cc31%29Oc1c%28OC%29c%28OC%29c%28OC%29c3c1C%28C2%29N%28C%29CC3/file?format=sdf&get3d=True -- COc1ccc2cc1Oc1ccc%28cc1%29CC1%3DNCCc3cc%28OC%29c%28cc31%29Oc1c%28OC%29c%28OC%29c%28OC%29c3c1C%28C2%29N%28C%29CC3 could not be loaded.
| Class | Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids |
| Super Class | Tyrosine alkaloids |
| Pathways | Alkaloids |