PCIDB

KNApSAcK Metabolite C00025199

Metabolite

KNApSAcK Entry

id C00025199
Name Pseudobrucine / 16-Hydroxybrucine
CAS RN 560-30-5
Standard InChI InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1
Standard InChI (Main Layer) InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 672

Link

ChEMBL

By standard InChI CHEMBL2164941
By standard InChI Main Layer CHEMBL2004313 CHEMBL2164941

KEGG

By LinkDB

CTD

By CAS RN