PCIDB

KNApSAcK Metabolite C00047439

Metabolite

KNApSAcK Entry

id C00047439
Name Dracotanoside B / (-)-Dracotanoside B
CAS RN 1165808-44-5
Standard InChI InChI=1S/C44H55N3O13/c1-27-36(50)39(53)41(60-43-40(54)38(52)37(51)33(59-43)26-56-42(55)30-13-6-3-7-14-30)44(57-27)58-31-18-16-29(17-19-31)32-25-34(48)46-22-10-24-47(23-9-8-21-45-32)35(49)20-15-28-11-4-2-5-12-28/h2-7,11-20,27,32-33,36-41,43-45,50-54H,8-10,21-26H2,1H3,(H,46,48)/b20-15+/t27-,32-,33+,36-,37+,38-,39+,40+,41+,43-,44-/m0/s1
Standard InChI (Main Layer) InChI=1S/C44H55N3O13/c1-27-36(50)39(53)41(60-43-40(54)38(52)37(51)33(59-43)26-56-42(55)30-13-6-3-7-14-30)44(57-27)58-31-18-16-29(17-19-31)32-25-34(48)46-22-10-24-47(23-9-8-21-45-32)35(49)20-15-28-11-4-2-5-12-28/h2-7,11-20,27,32-33,36-41,43-45,50-54H,8-10,21-26H2,1H3,(H,46,48)

Cluster

Phytochemical cluster
KCF-S cluster No. 625

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dracocephalum tanguricum 39166 Lamiaceae asterids Viridiplantae