PCIDB

KNApSAcK Metabolite C00029676

Metabolite

KNApSAcK Entry

id C00029676
Name alpha-Toxicarol / (-)-alpha-Toxicarol
CAS RN 1982-09-7
Standard InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 589

Link

ChEMBL

By standard InChI CHEMBL508992
By standard InChI Main Layer CHEMBL508992 CHEMBL1488225

KEGG

By LinkDB C10537

CTD

By CAS RN

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1488225 CHEMBL1613842 (1)
4 / 2
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1488225 CHEMBL1614331 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1488225 CHEMBL1614458 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1488225 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1488225 CHEMBL1614521 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1488225 CHEMBL2114872 (1) CHEMBL2114877 (1)
CHEMBL2114909 (1) CHEMBL2114929 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1488225 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1488225 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1488225 CHEMBL1613914 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1488225 CHEMBL1614364 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#600274 Frontotemporal dementia; ftd P10636
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#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
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (6)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)