PCIDB

KNApSAcK Metabolite C00002500

Metabolite

KNApSAcK Entry

id C00002500
Name Scopolin
CAS RN 531-44-2
Standard InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11?,13-,14+,15?,16-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 491

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL225024

KEGG

By LinkDB C01527

CTD

By CAS RN C417572

Species

Summary

Plant class

class name count
rosids 17
asterids 10

Family (Top 10)

family name count
Fabaceae 11
Solanaceae 3
Asteraceae 3
Euphorbiaceae 1
Cannabaceae 1
Araliaceae 1
Apocynaceae 1
Brassicaceae 1
Anacardiaceae 1
Gentianaceae 1

List (28)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aesculus pavia L. 43872 Hippocastanaceae rosids Viridiplantae
Anthemis spp. 99027 Asteraceae asterids Viridiplantae
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Artemisia minor 1227633 Asteraceae asterids Viridiplantae
Artemisia spp. 4219 Asteraceae asterids Viridiplantae
Astragalus brachycarpus 20400 Fabaceae rosids Viridiplantae
Astragalus falcatus 47038 Fabaceae rosids Viridiplantae
Baptisia arachnifera 49796 Fabaceae rosids Viridiplantae
Baptisia bracteata 313912 Fabaceae rosids Viridiplantae
Baptisia calycosa 49796 Fabaceae rosids Viridiplantae
Baptisia cinerea 313913 Fabaceae rosids Viridiplantae
Baptisia lanceolata 49796 Fabaceae rosids Viridiplantae
Baptisia nuttalliana 49796 Fabaceae rosids Viridiplantae
Baptisia perfoliata 49796 Fabaceae rosids Viridiplantae
Baptisia simplicifolia 49796 Fabaceae rosids Viridiplantae
Baptisia tinctoria 49797 Fabaceae rosids Viridiplantae
Celtis spp. 13408 Cannabaceae rosids Viridiplantae
Erycibe obtusifolia 197385 Convolvulaceae asterids Viridiplantae
Hedera spp. 4051 Araliaceae asterids Viridiplantae
Macaranga tanarius 109849 Euphorbiaceae rosids Viridiplantae
Mandragora autumnalis 389206 Solanaceae asterids Viridiplantae
Morus alba L. 3498 Moraceae rosids Viridiplantae
Nerium odorum 63479 Apocynaceae asterids Viridiplantae
Nicotiana tabacum 4097 Solanaceae asterids Viridiplantae
Phellinus igniarius 40472 Hymenochaetaceae Fungi
Rhus lanceolata 289755 Anacardiaceae rosids Viridiplantae
Scopolia japonica 221162 Solanaceae asterids Viridiplantae
Swertia spp. 39241 Gentianaceae asterids Viridiplantae

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P43166 Carbonic anhydrase 7 Lyase CHEMBL225024 CHEMBL2341285 (1)
0 / 0
Q8N1Q1 Carbonic anhydrase 13 Lyase CHEMBL225024 CHEMBL2341282 (1)
0 / 0
P00918 Carbonic anhydrase 2 Lyase CHEMBL225024 CHEMBL2341286 (1)
1 / 2
O43570 Carbonic anhydrase 12 Lyase CHEMBL225024 CHEMBL2341283 (1)
1 / 2
P00915 Carbonic anhydrase 1 Lyase CHEMBL225024 CHEMBL2341287 (1)
0 / 0
Q16790 Carbonic anhydrase 9 Lyase CHEMBL225024 CHEMBL2341284 (1)
0 / 1
P22303 Acetylcholinesterase Hydrolase CHEMBL225024 CHEMBL919956 (1) CHEMBL919957 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#143860 Hyperchlorhidrosis, isolated O43570
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#112100 Yt blood group antigen P22303

KEGG DISEASE (4)

KEGG disease name UniProt
H01302 Hyperchlorhidrosis isolated (HCHLH) O43570 (related)
H00021 Renal cell carcinoma O43570 (marker)
Q16790 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)