PCIDB

KNApSAcK Metabolite C00020715

Metabolite

KNApSAcK Entry

id C00020715
Name Thapsigargicin
CAS RN 67526-94-7
Standard InChI InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 2100

Link

ChEMBL

By standard InChI CHEMBL328508
By standard InChI Main Layer CHEMBL328508 CHEMBL1537509

KEGG

By LinkDB

CTD

By CAS RN C046319

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
Thapsia garganica 79022 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

16 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P17861 X-box-binding protein 1 Unclassified protein CHEMBL1537509 CHEMBL1738682 (1)
1 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1537509 CHEMBL1738312 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL1537509 CHEMBL1614079 (1)
0 / 0
O14983 Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 Calcium CHEMBL328508 CHEMBL828651 (1)
1 / 1
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1537509 CHEMBL1738606 (1)
0 / 0
P42858 Huntingtin Unclassified protein CHEMBL1537509 CHEMBL1613918 (1)
1 / 1
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1537509 CHEMBL1613838 (1)
0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1537509 CHEMBL1614410 (1)
1 / 3
P06280 Alpha-galactosidase A Enzyme CHEMBL1537509 CHEMBL1614369 (1)
1 / 1
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1537509 CHEMBL1614521 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1537509 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1537509 CHEMBL1738588 (1)
0 / 0
Q6W5P4 Neuropeptide S receptor Neuropeptide receptor CHEMBL1537509 CHEMBL1614052 (1)
1 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1537509 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1537509 CHEMBL1614421 (1)
4 / 3
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1537509 CHEMBL1613829 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (11)

OMIM preferred title UniProt
#608584 Asthma-related traits, susceptibility to, 2 Q6W5P4
#601003 Brody myopathy O14983
#301500 Fabry disease P06280
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#143100 Huntington disease; hd P42858
#612371 Major affective disorder 7; mafd7 P17861
#257220 Niemann-pick disease, type c1; npc1 O15118
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (9)

KEGG disease name UniProt
H01129 Brody myopathy O14983 (related)
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00125 Fabry disease P06280 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)