PCIDB

KNApSAcK Metabolite C00003594

Metabolite

KNApSAcK Entry

id C00003594
Name Tigonin
CAS RN 1329-83-5
Standard InChI InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30?,31?,32?,33?,34+,35+,36-,37-,38-,39+,40-,41?,42?,43?,44?,45+,46+,47+,48?,49+,50-,51+,52+,53+,54+,55+,56-/m1/s1
Standard InChI (Main Layer) InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08915

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Plantaginaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Digitalis lanata 49450 Plantaginaceae asterids Viridiplantae
Digitalis purpurea 4164 Plantaginaceae asterids Viridiplantae