PCIDB

KNApSAcK Metabolite C00041406

Metabolite

KNApSAcK Entry

id C00041406
Name Calendulaglycoside A
CAS RN 126487-06-7
Standard InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47?,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL508826 CHEMBL505495 CHEMBL1834952

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Calendula officinalis 41496 Asteraceae asterids Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 CHEMBL1834952 CHEMBL1837888 (1)
0 / 0
P37231 Peroxisome proliferator-activated receptor gamma NR1C3 CHEMBL1834952 CHEMBL1838226 (1)
5 / 3
Q07869 Peroxisome proliferator-activated receptor alpha NR1C1 CHEMBL1834952 CHEMBL1837887 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
%606641 Body mass index; bmi P37231
#609338 Carotid intimal medial thickness 1 P37231
#137800 Glioma susceptibility 1; glm1 P37231
#604367 Lipodystrophy, familial partial, type 3; fpld3 P37231
#601665 Obesity P37231

KEGG DISEASE (3)

KEGG disease name UniProt
H00032 Thyroid cancer P37231 (related)
H00409 Type II diabetes mellitus P37231 (related)
H00420 Familial partial lipodystrophy (FPL) P37231 (related)