PCIDB

KNApSAcK Metabolite C00003622

Metabolite

KNApSAcK Entry

id C00003622
Name Gitoxin
CAS RN 4562-36-1
Standard InChI InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19?,20?,21?,23-,24+,25+,26-,27+,28-,29+,30+,32+,33-,34-,35+,36?,37-,38?,39+,40-,41+/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 272

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL109317 CHEMBL137281 CHEMBL2069121

KEGG

By LinkDB C08866

CTD

By CAS RN C005003

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

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16637 Survival motor neuron protein Unclassified protein CHEMBL2069121 CHEMBL1613842 (1)
4 / 2
Q99700 Ataxin-2 Unclassified protein CHEMBL137281 CHEMBL2114784 (1)
1 / 1
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL137281 CHEMBL1794499 (1)
2 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL2069121 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL2069121 CHEMBL1614544 (1)
11 / 10
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL2069121 CHEMBL1614458 (1)
0 / 0
P68871 Hemoglobin subunit beta Secreted protein CHEMBL2069121 CHEMBL1614204 (1) CHEMBL1613976 (1)
4 / 4
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL137281 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL137281 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL137281 CHEMBL2114788 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL137281 CHEMBL1794401 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL2069121 CHEMBL2114870 (1) CHEMBL2114872 (1)
CHEMBL2114877 (1) CHEMBL2114909 (1)
CHEMBL2114929 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL2069121 CHEMBL1614421 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL137281 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL137281 CHEMBL2354311 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (29)

OMIM preferred title UniProt
#613985 Beta-thalassemia P68871
#603902 Beta-thalassemia, dominant inclusion body type P68871
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#114500 Colorectal cancer; crc P84022
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#600274 Frontotemporal dementia; ftd P10636
#137800 Glioma susceptibility 1; glm1 O75874
#610140 Heart-hand syndrome, slovenian type P02545
#140700 Heinz body anemias P68871
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275210 Restrictive dermopathy, lethal P02545
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#603903 Sickle cell anemia P68871
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (19)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00228 Thalassemia P68871 (related)
H00229 Sickle cell anemia (SCA) P68871 (related)
H00020 Colorectal cancer P68871 (marker)
H00022 Bladder cancer P68871 (marker)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)