PCIDB

KNApSAcK Metabolite C00037321

Metabolite

KNApSAcK Entry

id C00037321
Name Isobergapten
CAS RN 482-48-4
Standard InChI InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
Standard InChI (Main Layer) InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 1282

Link

ChEMBL

By standard InChI CHEMBL141690
By standard InChI Main Layer CHEMBL141690

KEGG

By LinkDB C18082

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 15
rosids 12

Family

family name count
Apiaceae 15
Moraceae 12

List (27)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dorstenia asaroides 319933 Moraceae rosids Viridiplantae
Dorstenia bahiensis 382339 Moraceae rosids Viridiplantae
Dorstenia barnimiana 106722 Moraceae rosids Viridiplantae
Dorstenia brasiliensis 984796 Moraceae rosids Viridiplantae
Dorstenia bryonifolia 106722 Moraceae rosids Viridiplantae
Dorstenia cayapiaa 106722 Moraceae rosids Viridiplantae
Dorstenia contrajerva 984801 Moraceae rosids Viridiplantae
Dorstenia drakena 984804 Moraceae rosids Viridiplantae
Dorstenia excentria 106722 Moraceae rosids Viridiplantae
Dorstenia heringerii 106722 Moraceae rosids Viridiplantae
Dorstenia lindeniana 984813 Moraceae rosids Viridiplantae
Dorstenia psilurus 106723 Moraceae rosids Viridiplantae
Heracleum asperum 380072 Apiaceae asterids Viridiplantae
Heracleum canescens 376873 Apiaceae asterids Viridiplantae
Heracleum dissectum 380073 Apiaceae asterids Viridiplantae
Heracleum granatense 40917 Apiaceae asterids Viridiplantae
Heracleum grandiflorum 380075 Apiaceae asterids Viridiplantae
Heracleum lehmannianum 376866 Apiaceae asterids Viridiplantae
Heracleum moellendorffii Hance 99507 Apiaceae asterids Viridiplantae
Heracleum moellendorffii Hance var.paucivitatum 40917 Apiaceae asterids Viridiplantae
Heracleum nepalense 376874 Apiaceae asterids Viridiplantae
Heracleum pinnatum 376875 Apiaceae asterids Viridiplantae
Heracleum ponticum 376867 Apiaceae asterids Viridiplantae
Heracleum sphondylium 40919 Apiaceae asterids Viridiplantae
Heracleum wallichii 491186 Apiaceae asterids Viridiplantae
Heracleum woroschiklowii 40917 Apiaceae asterids Viridiplantae
Tordylium apulum 489417 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL141690 CHEMBL1614458 (2)
0 / 0
O75496 Geminin Unclassified protein CHEMBL141690 CHEMBL2114780 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL141690 CHEMBL1794467 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL141690 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL141690 CHEMBL1614250 (1)
4 / 3
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL141690 CHEMBL1613914 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL141690 CHEMBL1738442 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL141690 CHEMBL1964002 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#600274 Frontotemporal dementia; ftd P10636
#137800 Glioma susceptibility 1; glm1 O75874
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (4)

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)