PCIDB

KNApSAcK Metabolite C00002738

Metabolite

KNApSAcK Entry

id C00002738
Name Echinacoside
CAS RN 82854-37-3
Standard InChI InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14?,21?,22?,24-,25+,26-,27-,28?,29?,30?,31+,32+,33+,34+,35-/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 33

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL393090 CHEMBL510539

KEGG

By LinkDB C10450

CTD

By CAS RN C060297

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL510539 CHEMBL1614458 (1)
0 / 0
P10145 Interleukin-8 Secreted protein CHEMBL510539 CHEMBL2114835 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL510539 CHEMBL1613808 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL510539 CHEMBL1613910 (1) CHEMBL1614227 (1)
3 / 3
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL510539 CHEMBL1614240 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL510539 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

CTD interaction (4)

compound gene gene name gene description interaction interaction type form reference
pmid
C060297 571 BACH1
BACH-1
BTB and CNC homology 1, basic leucine zipper transcription factor 1 echinacoside results in decreased expression of BACH1 protein decreases expression
protein 22735309
C060297 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) echinacoside results in increased expression of HMOX1 mRNA increases expression
mRNA 22735309
C060297 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) echinacoside results in increased expression of HMOX1 protein increases expression
protein 22735309
C060297 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 echinacoside results in increased activity of and affects the localization of NFE2L2 protein affects localization
/ increases activity
protein 22735309

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714

KEGG DISEASE (4)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D008107 C060297 Liver Diseases therapeutic
17222497