PCIDB

KNApSAcK Metabolite C00027068

Metabolite

KNApSAcK Entry

id C00027068
Name N-Methyl-4,21-secotalpinine / N(4)-Methyl-N(4),21-secotalpinine / N(4)-Methyl-N(4),21-seco-talpinine
CAS RN 16101-12-5
Standard InChI InChI=1S/C21H28N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,12,14,16-17,19-20,24H,8-11H2,1-3H3
Standard InChI (Main Layer) InChI=1S/C21H28N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,12,14,16-17,19-20,24H,8-11H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1242

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2332141

KEGG

By LinkDB

CTD

By CAS RN