PCIDB

KNApSAcK Metabolite C00026608

Metabolite

KNApSAcK Entry

id C00026608
Name Withanamide E
CAS RN 702702-55-4
Standard InChI InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26?,30?,31?,33-,34-,35?,36?,37+,38+,39-,40-/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)

Cluster

Phytochemical cluster
KCF-S cluster No. 1096

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
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Withania somnifera 126910 Solanaceae asterids Viridiplantae