KNApSAcK Metabolite C00002499
Metabolite
KNApSAcK Entry
| id | C00002499 |
|---|---|
| Name | Scopoletin |
| CAS RN | 92-61-5 |
| Standard InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| Standard InChI (Main Layer) | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
Cluster
| Phytochemical cluster | No. 25 |
|---|---|
| KCF-S cluster | No. 864 |
Link
ChEMBL
| By standard InChI | CHEMBL71851 |
|---|---|
| By standard InChI Main Layer | CHEMBL71851 |
KEGG
| By LinkDB | C01752 |
|---|
CTD
| By CAS RN | D012603 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 59 |
| asterids | 49 |
| Liliopsida | 2 |
| eudicotyledons | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Fabaceae | 24 |
| Asteraceae | 20 |
| Rubiaceae | 12 |
| Rutaceae | 11 |
| Apiaceae | 8 |
| Euphorbiaceae | 7 |
| Meliaceae | 5 |
| Malvaceae | 4 |
| Solanaceae | 3 |
| Convolvulaceae | 3 |
List (113)
* NCBI
Human Protein / Gene in interaction
48 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL71851 |
CHEMBL1741321
(1)
|
1 / 0 |
| P22310 | UDP-glucuronosyltransferase 1-4 | Enzyme | CHEMBL71851 |
CHEMBL1908081
(1)
CHEMBL1908082
(1)
|
3 / 0 |
| P18031 | Tyrosine-protein phosphatase non-receptor type 1 | Tyr | CHEMBL71851 |
CHEMBL1106811
(1)
|
0 / 0 |
| O75795 | UDP-glucuronosyltransferase 2B17 | Enzyme | CHEMBL71851 |
CHEMBL1743337
(1)
|
1 / 0 |
| Q9HAW8 | UDP-glucuronosyltransferase 1-10 | Enzyme | CHEMBL71851 |
CHEMBL1908087
(1)
|
0 / 0 |
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL71851 |
CHEMBL2114784
(2)
|
1 / 1 |
| P09917 | Arachidonate 5-lipoxygenase | Oxidoreductase | CHEMBL71851 |
CHEMBL916998
(1)
|
0 / 0 |
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL71851 |
CHEMBL917000
(1)
CHEMBL1014033
(1)
|
0 / 3 |
| P04062 | Glucosylceramidase | Enzyme | CHEMBL71851 |
CHEMBL1613818
(3)
|
6 / 4 |
| P10253 | Lysosomal alpha-glucosidase | Hydrolase | CHEMBL71851 |
CHEMBL1614175
(3)
|
1 / 1 |
| P43166 | Carbonic anhydrase 7 | Lyase | CHEMBL71851 |
CHEMBL2341285
(1)
|
0 / 0 |
| P29466 | Caspase-1 | C14 | CHEMBL71851 |
CHEMBL1614158
(3)
|
0 / 0 |
| P04406 | Glyceraldehyde-3-phosphate dehydrogenase | Enzyme | CHEMBL71851 |
CHEMBL684062
(1)
|
0 / 0 |
| Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Enzyme | CHEMBL71851 |
CHEMBL1794585
(1)
|
0 / 0 |
| Q8N1Q1 | Carbonic anhydrase 13 | Lyase | CHEMBL71851 |
CHEMBL2341282
(1)
|
0 / 0 |
| P55789 | FAD-linked sulfhydryl oxidase ALR | Enzyme | CHEMBL71851 |
CHEMBL1738573
(1)
|
1 / 0 |
| P47989 | Xanthine dehydrogenase/oxidase | Oxidoreductase | CHEMBL71851 |
CHEMBL892636
(1)
|
1 / 1 |
| P00918 | Carbonic anhydrase 2 | Lyase | CHEMBL71851 |
CHEMBL2341286
(1)
|
1 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL71851 |
CHEMBL1741325
(1)
|
0 / 1 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL71851 |
CHEMBL1614458
(3)
|
0 / 0 |
| O43570 | Carbonic anhydrase 12 | Lyase | CHEMBL71851 |
CHEMBL2341283
(1)
|
1 / 2 |
| Q16665 | Hypoxia-inducible factor 1-alpha | Transcription Factor | CHEMBL71851 |
CHEMBL1614456
(1)
CHEMBL1613803
(1)
|
0 / 0 |
| Q92830 | Histone acetyltransferase KAT2A | Enzyme | CHEMBL71851 |
CHEMBL1738606
(1)
|
0 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL71851 |
CHEMBL2114843
(1)
CHEMBL2114780
(1)
|
0 / 0 |
| O60656 | UDP-glucuronosyltransferase 1-9 | Enzyme | CHEMBL71851 |
CHEMBL1743330
(1)
|
0 / 0 |
| P54855 | UDP-glucuronosyltransferase 2B15 | Enzyme | CHEMBL71851 |
CHEMBL1908090
(1)
|
0 / 0 |
| P15121 | Aldose reductase | Enzyme | CHEMBL71851 |
CHEMBL1260797
(1)
|
0 / 0 |
| P00915 | Carbonic anhydrase 1 | Lyase | CHEMBL71851 |
CHEMBL2341287
(1)
|
0 / 0 |
| P63092 | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | Other membrane protein | CHEMBL71851 |
CHEMBL2114810
(1)
|
7 / 3 |
| Q04206 | Transcription factor p65 | Transcription Factor | CHEMBL71851 |
CHEMBL2341058
(1)
|
0 / 0 |
| P06280 | Alpha-galactosidase A | Enzyme | CHEMBL71851 |
CHEMBL1614217
(3)
CHEMBL1614369
(2)
|
1 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL71851 |
CHEMBL1741322
(1)
|
0 / 0 |
| Q16790 | Carbonic anhydrase 9 | Lyase | CHEMBL71851 |
CHEMBL2341284
(1)
|
0 / 1 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL71851 |
CHEMBL1613910
(3)
CHEMBL1614227
(1)
|
3 / 3 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL71851 |
CHEMBL1614038
(3)
|
2 / 2 |
| Q9HAW9 | UDP-glucuronosyltransferase 1-8 | Enzyme | CHEMBL71851 |
CHEMBL1908085
(2)
|
0 / 0 |
| Q9Y4X1 | UDP-glucuronosyltransferase 2A1 | Enzyme | CHEMBL71851 |
CHEMBL1908088
(1)
|
0 / 0 |
| P22303 | Acetylcholinesterase | Hydrolase | CHEMBL71851 |
CHEMBL919956
(1)
|
1 / 0 |
| Q00796 | Sorbitol dehydrogenase | Enzyme | CHEMBL71851 |
CHEMBL1260799
(1)
|
0 / 0 |
| P55210 | Caspase-7 | C14 | CHEMBL71851 |
CHEMBL1613779
(3)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL71851 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL71851 |
CHEMBL1741324
(1)
|
0 / 1 |
| P22309 | UDP-glucuronosyltransferase 1-1 | Enzyme | CHEMBL71851 |
CHEMBL1908080
(1)
|
5 / 1 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL71851 |
CHEMBL1613914
(2)
|
0 / 0 |
| P46063 | ATP-dependent DNA helicase Q1 | Enzyme | CHEMBL71851 |
CHEMBL1613829
(1)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL71851 |
CHEMBL1738442
(1)
|
0 / 0 |
| O00255 | Menin | Unclassified protein | CHEMBL71851 |
CHEMBL1614531
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL71851 |
CHEMBL1614531
(1)
|
1 / 3 |
CTD interaction (9)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| D012603 | 54658 |
UGT1A1
BILIQTL1 GNT1 HUG-BR1 UDPGT UDPGT_1-1 UGT1 UGT1A |
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) | UGT1A1 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54575 |
UGT1A10
UDPGT UGT-1J UGT1-10 UGT1.10 UGT1J |
UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) | UGT1A10 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54659 |
UGT1A3
UDPGT UDPGT_1-3 UGT-1C UGT1-03 UGT1.3 UGT1C |
UDP glucuronosyltransferase 1 family, polypeptide A3 (EC:2.4.1.17) | UGT1A3 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54578 |
UGT1A6
GNT1 HLUGP HLUGP1 UDPGT UDPGT_1-6 UGT1 UGT1A6S UGT1F |
UDP glucuronosyltransferase 1 family, polypeptide A6 (EC:2.4.1.17) | UGT1A6 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54577 |
UGT1A7
UDPGT UDPGT_1-7 UGT-1G UGT1-07 UGT1.7 UGT1G |
UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) | UGT1A7 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54576 |
UGT1A8
UDPGT UDPGT_1-8 UGT-1H UGT1-08 UGT1.8 UGT1A8S UGT1H |
UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) | UGT1A8 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15802387
|
| D012603 | 54600 |
UGT1A9
HLUGP4 LUGP4 UDPGT UDPGT_1-9 UGT-1I UGT1-09 UGT1-9 UGT1.9 UGT1AI UGT1I |
UDP glucuronosyltransferase 1 family, polypeptide A9 (EC:2.4.1.17) | UGT1A9 protein results in increased glucuronidation of Scopoletin |
increases glucuronidation
|
protein |
15044611
15802387 |
| D012603 | 7366 |
UGT2B15
HLUG4 UDPGT_2B8 UDPGT2B15 UDPGTH3 UGT2B8 |
UDP glucuronosyltransferase 2 family, polypeptide B15 (EC:2.4.1.17) | UGT2B15 protein results in increased metabolism of Scopoletin |
increases metabolic processing
|
protein |
7835232
|
| D012603 | 7508 |
XPC
RAD4 XP3 XPCC |
xeroderma pigmentosum, complementation group C | XPC protein affects the susceptibility to Scopoletin |
affects response to substance
|
protein |
22280988
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (37)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #219080 | Acth-independent macronodular adrenal hyperplasia; aimah |
P63092
|
| #601816 | Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 |
P22309
|
| #612560 | Bone mineral density quantitative trait locus 12; bmnd12 |
O75795
|
| #218800 | Crigler-najjar syndrome, type i |
P22309
P22310 |
| #606785 | Crigler-najjar syndrome, type ii |
P22309
P22310 |
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #301500 | Fabry disease |
P06280
|
| #608013 | Gaucher disease, perinatal lethal |
P04062
|
| #230800 | Gaucher disease, type i |
P04062
|
| #230900 | Gaucher disease, type ii |
P04062
|
| #231000 | Gaucher disease, type iii |
P04062
|
| #231005 | Gaucher disease, type iiic |
P04062
|
| #143500 | Gilbert syndrome |
P22309
P22310 |
| #232300 | Glycogen storage disease ii |
P10253
|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #237900 | Hyperbilirubinemia, transient familial neonatal; hblrtfn |
P22309
|
| #143860 | Hyperchlorhidrosis, isolated |
O43570
|
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #174800 | Mccune-albright syndrome; mas |
P63092
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
| #613076 | Myopathy, mitochondrial progressive, with congenital cataract, hearing loss, and developmental delay |
P55789
|
| #166350 | Osseous heteroplasia, progressive; poh |
P63092
|
| #259730 | Osteopetrosis, autosomal recessive 3; optb3 |
P00918
|
| #168600 | Parkinson disease, late-onset; pd |
P04062
|
| #102200 | Pituitary adenoma, growth hormone-secreting |
P63092
|
| #103580 | Pseudohypoparathyroidism, type ia; php1a |
P63092
|
| #603233 | Pseudohypoparathyroidism, type ib; php1b |
P63092
|
| #612462 | Pseudohypoparathyroidism, type ic; php1c |
P63092
|
| #183090 | Spinocerebellar ataxia 2; sca2 |
Q99700
|
| #278300 | Xanthinuria, type i |
P47989
|
| #112100 | Yt blood group antigen |
P22303
|
KEGG DISEASE (34)
| KEGG | disease name | UniProt |
|---|---|---|
| H00033 | Adrenal carcinoma |
O00255
(related)
|
| H00034 | Carcinoid |
O00255
(related)
|
| H00045 | Malignant islet cell carcinoma |
O00255
(related)
|
| H00246 | Primary hyperparathyroidism |
O00255
(related)
|
| H01102 | Pituitary adenomas |
O00255
(related)
|
| 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)
|
| H00066 | Lewy body dementia (LBD) |
P04062
(related)
|
| H00126 | Gaucher disease |
P04062
(related)
|
| H00426 | Defects in the degradation of ganglioside |
P04062
(related)
|
| H00810 | Progressive myoclonic epilepsy (PME) |
P04062
(related)
|
| H00125 | Fabry disease |
P06280
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00069 | Glycogen storage diseases (GSD) |
P10253
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00457 | Primary hypertrophic osteoarthropathy (PHO) |
P15428
(related)
|
| H01246 | Isolated congenital nail clubbing (ICNC) |
P15428
(related)
|
| H00208 | Hyperbilirubinemia |
P22309
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00017 | Esophageal cancer |
P35354
(related)
|
| H00025 | Penile cancer |
P35354
(related)
|
| H00046 | Cholangiocarcinoma |
P35354
(related)
|
| H00192 | Xanthinuria |
P47989
(related)
|
| H00244 | Pseudohypoparathyroidism |
P63092
(related)
|
| H00441 | Progressive osseous heteroplasia (POH) |
P63092
(related)
|
| H00501 | Fibrous dysplasia, polyostotic |
P63092
(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)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q99700
(related)
|
| H00480 | Non-syndromic X-linked mental retardation |
Q99714
(related)
|
| H00658 | Syndromic X-linked mental retardation |
Q99714
(related)
|
| H00925 | 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency |
Q99714
(related)
|