KNApSAcK Metabolite C00035778
Metabolite
KNApSAcK Entry
| id | C00035778 |
|---|---|
| Name | 1,3-Dimethylbenzene |
| CAS RN | 108-38-3 |
| Standard InChI | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| Standard InChI (Main Layer) | InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 6896 |
Link
ChEMBL
| By standard InChI | CHEMBL286727 |
|---|---|
| By standard InChI Main Layer | CHEMBL286727 |
KEGG
| By LinkDB | C07208 |
|---|
CTD
| By CAS RN | C031285 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Solanaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Lycopersicon esculentum Mill. | 4081 | Solanaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P04062 | Glucosylceramidase | Enzyme | CHEMBL286727 |
CHEMBL1613818
(1)
|
6 / 4 |
| P04150 | Glucocorticoid receptor | NR3C1 | CHEMBL286727 |
CHEMBL1794456
(1)
|
0 / 1 |
| P51449 | Nuclear receptor ROR-gamma | Nuclear hormone receptor subfamily 1 group F member 3 | CHEMBL286727 |
CHEMBL2114842
(1)
|
0 / 0 |
| P22303 | Acetylcholinesterase | Hydrolase | CHEMBL286727 |
CHEMBL648291
(1)
CHEMBL643382
(1)
|
1 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL286727 |
CHEMBL2114890
(1)
|
0 / 0 |
CTD interaction (11)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C031285 | 6347 |
CCL2
GDCF-2 HC11 HSMCR30 MCAF MCP-1 MCP1 SCYA2 SMC-CF |
chemokine (C-C motif) ligand 2 | 3-xylene results in increased expression of CCL2 protein |
increases expression
|
protein |
17993253
|
| C031285 | 57053 |
CHRNA10
|
cholinergic receptor, nicotinic, alpha 10 (neuronal) | 3-xylene inhibits the reaction [Acetylcholine results in increased activity of [CHRNA9 protein binds to CHRNA10 protein]] |
affects binding
/ decreases reaction / increases activity |
protein |
18602458
|
| C031285 | 55584 |
CHRNA9
HSA243342 NACHRA9 |
cholinergic receptor, nicotinic, alpha 9 (neuronal) | 3-xylene inhibits the reaction [Acetylcholine results in increased activity of [CHRNA9 protein binds to CHRNA10 protein]] |
affects binding
/ decreases reaction / increases activity |
protein |
18602458
|
| C031285 | 1544 |
CYP1A2
CP12 P3-450 P450(PA) |
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) | CYP1A2 protein results in increased metabolism of 3-xylene |
increases metabolic processing
|
protein |
8558417
|
| C031285 | 1544 |
CYP1A2
CP12 P3-450 P450(PA) |
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) | furafylline inhibits the reaction [CYP1A2 protein results in increased metabolism of 3-xylene] |
decreases reaction
/ increases metabolic processing |
protein |
8558417
|
| C031285 | 1548 |
CYP2A6
CPA6 CYP2A CYP2A3 CYPIIA6 P450C2A P450PB |
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) | CYP2A6 protein results in increased oxidation of 3-xylene |
increases oxidation
|
protein |
17156750
|
| C031285 | 1571 |
CYP2E1
CPE1 CYP2E P450-J P450C2E |
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) | CYP2E1 protein results in increased hydrolysis of 3-xylene |
increases hydrolysis
|
protein |
10353308
|
| C031285 | 1571 |
CYP2E1
CPE1 CYP2E P450-J P450C2E |
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) | CYP2E1 protein results in increased metabolism of 3-xylene |
increases metabolic processing
|
protein |
8558417
|
| C031285 | 1571 |
CYP2E1
CPE1 CYP2E P450-J P450C2E |
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) | CYP2E1 protein results in increased oxidation of 3-xylene |
increases oxidation
|
protein |
17156750
|
| C031285 | 1571 |
CYP2E1
CPE1 CYP2E P450-J P450C2E |
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) | Ditiocarb inhibits the reaction [CYP2E1 protein results in increased metabolism of 3-xylene] |
decreases reaction
/ increases metabolic processing |
protein |
8558417
|
| C031285 | 3576 |
IL8
CXCL8 GCP-1 GCP1 LECT LUCT LYNAP MDNCF MONAP NAF NAP-1 NAP1 |
interleukin 8 | 3-xylene results in increased expression of IL8 protein |
increases expression
|
protein |
17993253
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (7)
| OMIM | preferred title | UniProt |
|---|---|---|
| #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
|
| #168600 | Parkinson disease, late-onset; pd |
P04062
|
| #112100 | Yt blood group antigen |
P22303
|
KEGG DISEASE (5)
| KEGG | disease name | UniProt |
|---|---|---|
| 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)
|
| H00599 | 46,XX disorders of sex development (Disorders related to androgen excess) |
P04150
(related)
|
Diseases related to CTD interactions
5 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D055371 | C031285 | Acute Lung Injury |
marker/mechanism
|
15204773
|
|
| D003872 | C031285 | Dermatitis |
marker/mechanism
|
12717741
15902427 |
|
| D005119 | C031285 | Extravasation of Diagnostic and Therapeutic Materials |
marker/mechanism
|
19014991
|
|
| D020258 | C031285 | Neurotoxicity Syndromes |
marker/mechanism
|
7820390
8907413 |
|
| D012640 | C031285 | Seizures |
therapeutic
|
6431079
8907413 |