PCIDB

KNApSAcK Metabolite C00033722

Metabolite

KNApSAcK Entry

id C00033722
Name Ciliatoside B / (-)-Ciliatoside B
CAS RN 303085-28-1
Standard InChI InChI=1S/C41H48O23/c1-52-23-6-17-18(7-24(23)53-2)31(19-8-54-35(49)27(19)26(17)16-3-4-22-25(5-16)61-15-60-22)62-39-34(41(51,14-59-39)13-57-36-29(46)28(45)20(43)9-55-36)64-37-30(47)32(21(44)10-56-37)63-38-33(48)40(50,11-42)12-58-38/h3-7,20-21,28-30,32-34,36-39,42-48,50-51H,8-15H2,1-2H3/t20-,21+,28+,29-,30-,32+,33+,34+,36+,37+,38+,39?,40-,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H48O23/c1-52-23-6-17-18(7-24(23)53-2)31(19-8-54-35(49)27(19)26(17)16-3-4-22-25(5-16)61-15-60-22)62-39-34(41(51,14-59-39)13-57-36-29(46)28(45)20(43)9-55-36)64-37-30(47)32(21(44)10-56-37)63-38-33(48)40(50,11-42)12-58-38/h3-7,20-21,28-30,32-34,36-39,42-48,50-51H,8-15H2,1-2H3

Cluster

Phytochemical cluster No. 22
KCF-S cluster No. 509

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL445172 CHEMBL499379

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Acanthaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Justicia procumbens 4190 Acanthaceae asterids Viridiplantae