PCIDB

KNApSAcK Metabolite C00033832

Metabolite

KNApSAcK Entry

id C00033832
Name Eryngioside K / (-)-Eryngioside K
CAS RN 1039557-74-8
Standard InChI InChI=1S/C54H84O22/c1-11-23(2)45(68)76-42-43(70-24(3)57)54(22-56)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h11-12,26-43,46-48,55-56,58-65H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48?,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H84O22/c1-11-23(2)45(68)76-42-43(70-24(3)57)54(22-56)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h11-12,26-43,46-48,55-56,58-65H,13-22H2,1-10H3,(H,66,67)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1094687

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eryngium yuccifolium 90460 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11387 DNA topoisomerase 1 Isomerase CHEMBL1094687 CHEMBL1111926 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL1094687 CHEMBL1111927 (1)
0 / 0