PCIDB

KNApSAcK Metabolite C00038175

Metabolite

KNApSAcK Entry

id C00038175
Name 18,19-Dehydrocorynoxinic acid / (+)-18,19-Dehydrocorynoxinic acid
CAS RN 1034586-58-7
Standard InChI InChI=1S/C21H24N2O4/c1-3-13-11-23-9-8-21(16-6-4-5-7-17(16)22-20(21)26)18(23)10-14(13)15(12-27-2)19(24)25/h3-7,12-14,18H,1,8-11H2,2H3,(H,22,26)(H,24,25)/b15-12+/t13-,14+,18+,21+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H24N2O4/c1-3-13-11-23-9-8-21(16-6-4-5-7-17(16)22-20(21)26)18(23)10-14(13)15(12-27-2)19(24)25/h3-7,12-14,18H,1,8-11H2,2H3,(H,22,26)(H,24,25)

Cluster

Phytochemical cluster
KCF-S cluster No. 154

Link

ChEMBL

By standard InChI CHEMBL521425
By standard InChI Main Layer CHEMBL481352 CHEMBL521425

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Uncaria rhynchophylla 43575 Rubiaceae asterids Viridiplantae