PCIDB

KNApSAcK Metabolite C00003610

Metabolite

KNApSAcK Entry

id C00003610
Name Cerberoside
CAS RN 11005-70-2
Standard InChI InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18?,20-,21+,22-,23+,24-,25?,26?,28-,29-,30?,31+,32?,33?,34?,35+,36-,37-,38+,39+,40+,41-,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 272

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL263601

KEGG

By LinkDB C12091

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Apocynaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cerbera odollam 141546 Apocynaceae asterids Viridiplantae
Thevetia neriifolia 930818 Apocynaceae asterids Viridiplantae