PCIDB

KNApSAcK Metabolite C00002769

Metabolite

KNApSAcK Entry

id C00002769
Name Purpureaside C
CAS RN 108648-07-3
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 C10488

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Plantaginaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Digitalis purpurea 4164 Plantaginaceae asterids Viridiplantae
Rehmannia glutinosa 99300 asterids Viridiplantae

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

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)