KNApSAcK Metabolite C00029763
Metabolite
KNApSAcK Entry
| id | C00029763 |
|---|---|
| Name | Auraptene |
| CAS RN | 495-02-3 |
| Standard InChI | InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+ |
| Standard InChI (Main Layer) | InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 335 |
Link
ChEMBL
| By standard InChI | CHEMBL307341 |
|---|---|
| By standard InChI Main Layer | CHEMBL307341 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C105832 |
|---|
Species
Summary
List (6)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Atalantia monophylla | 159025 | Rutaceae | rosids | Viridiplantae |
| Boronella koniambiensis | 1226048 | Rutaceae | rosids | Viridiplantae |
| Dictamnus albus L. | 298346 | Rutaceae | rosids | Viridiplantae |
| Ferula szowitsiana | 555415 | Apiaceae | asterids | Viridiplantae |
| Poncirus trifoliata | 37690 | Rutaceae | rosids | Viridiplantae |
| Severinia buxifolia | 76974 | Rutaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
28 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q9UIF8 | Bromodomain adjacent to zinc finger domain protein 2B | Unclassified protein | CHEMBL307341 |
CHEMBL1738312
(1)
|
0 / 0 |
| P04062 | Glucosylceramidase | Enzyme | CHEMBL307341 |
CHEMBL1613818
(1)
|
6 / 4 |
| Q13315 | Serine-protein kinase ATM | Atypical serine/threonine protein kinase PIKK subfamily | CHEMBL307341 |
CHEMBL1614153
(1)
|
1 / 4 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL307341 |
CHEMBL1614458
(3)
|
0 / 0 |
| P17405 | Sphingomyelin phosphodiesterase | Enzyme | CHEMBL307341 |
CHEMBL1794495
(1)
|
2 / 2 |
| P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | CHEMBL307341 |
CHEMBL1794584
(1)
|
2 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL307341 |
CHEMBL2114843
(1)
|
0 / 0 |
| P43220 | Glucagon-like peptide 1 receptor | Glucagon-like peptide receptor | CHEMBL307341 |
CHEMBL2114788
(1)
|
0 / 0 |
| Q9Y253 | DNA polymerase eta | Enzyme | CHEMBL307341 |
CHEMBL1794569
(1)
|
1 / 1 |
| Q9Y468 | Lethal(3)malignant brain tumor-like protein 1 | Unclassified protein | CHEMBL307341 |
CHEMBL1614280
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL307341 |
CHEMBL1794401
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL307341 |
CHEMBL1794467
(1)
|
0 / 0 |
| P06280 | Alpha-galactosidase A | Enzyme | CHEMBL307341 |
CHEMBL1614217
(1)
|
1 / 1 |
| Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL307341 |
CHEMBL2025894
(1)
CHEMBL2025895
(1)
CHEMBL2025896 (1) CHEMBL2025897 (1) CHEMBL2025898 (1) CHEMBL2025899 (1) CHEMBL2025900 (1) CHEMBL2025901 (1) |
0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | CHEMBL307341 |
CHEMBL1613808
(1)
|
0 / 0 |
| P56817 | Beta-secretase 1 | A1A | CHEMBL307341 |
CHEMBL1936881
(1)
|
0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL307341 |
CHEMBL1613910
(1)
|
3 / 3 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL307341 |
CHEMBL1614038
(2)
|
2 / 2 |
| P16050 | Arachidonate 15-lipoxygenase | Enzyme | CHEMBL307341 |
CHEMBL2091179
(1)
|
0 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL307341 |
CHEMBL1108441
(1)
CHEMBL1614108
(1)
CHEMBL1613886 (1) |
0 / 1 |
| O75164 | Lysine-specific demethylase 4A | Enzyme | CHEMBL307341 |
CHEMBL1737991
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL307341 |
CHEMBL1614421
(1)
|
4 / 3 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL307341 |
CHEMBL1613914
(2)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL307341 |
CHEMBL1738442
(1)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL307341 |
CHEMBL1614364
(2)
|
1 / 1 |
| Q13951 | Core-binding factor subunit beta | Unclassified protein | CHEMBL307341 |
CHEMBL1613933
(1)
|
0 / 1 |
| Q01196 | Runt-related transcription factor 1 | Unclassified protein | CHEMBL307341 |
CHEMBL1613933
(1)
|
1 / 6 |
| Q13148 | TAR DNA-binding protein 43 | Unclassified protein | CHEMBL307341 |
CHEMBL2354287
(1)
|
1 / 1 |
CTD interaction (6)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C105832 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | aurapten inhibits the reaction [DDT results in increased expression of CYP1A1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
| C105832 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | aurapten inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of CYP1A1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
| C105832 | 5743 |
PTGS2
COX-2 COX2 GRIPGHS PGG/HS PGHS-2 PHS-2 hCox-2 |
prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) | aurapten inhibits the reaction [DDT results in increased expression of PTGS2 mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
| C105832 | 5743 |
PTGS2
COX-2 COX2 GRIPGHS PGG/HS PGHS-2 PHS-2 hCox-2 |
prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) | aurapten inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of PTGS2 mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
| C105832 | 7422 |
VEGFA
MVCD1 VEGF VPF |
vascular endothelial growth factor A | aurapten inhibits the reaction [DDT results in increased expression of VEGFA mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
| C105832 | 7422 |
VEGFA
MVCD1 VEGF VPF |
vascular endothelial growth factor A | aurapten inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of VEGFA mRNA] |
decreases reaction
/ increases expression |
mRNA |
20865247
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (25)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #612069 | Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 |
Q13148
|
| #208900 | Ataxia-telangiectasia; at |
Q13315
|
| #114500 | Colorectal cancer; crc |
P84022
|
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #301500 | Fabry disease |
P06280
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #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
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #613795 | Loeys-dietz syndrome, type 3; lds3 |
P84022
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #257200 | Niemann-pick disease, type a |
P17405
|
| #607616 | Niemann-pick disease, type b |
P17405
|
| #168600 | Parkinson disease, late-onset; pd |
P04062
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #601399 | Platelet disorder, familial, with associated myeloid malignancy |
Q01196
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #278750 | Xeroderma pigmentosum, variant type; xpv |
Q9Y253
|
KEGG DISEASE (26)
| 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)
|
| H00125 | Fabry disease |
P06280
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
Q13148 (related) |
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00457 | Primary hypertrophic osteoarthropathy (PHO) |
P15428
(related)
|
| H01246 | Isolated congenital nail clubbing (ICNC) |
P15428
(related)
|
| H00137 | Niemann-Pick disease (NPD) typeA and B |
P17405
(related)
|
| H00424 | Defects in the degradation of sphingomyelin |
P17405
(related)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q01196
(related)
Q01196 (marker) |
| H00003 | Acute myeloid leukemia (AML) |
Q01196
(related)
Q01196 (marker) Q13951 (marker) |
| H00004 | Chronic myeloid leukemia (CML) |
Q01196
(related)
|
| H00978 | Thrombocytopenia (THC) |
Q01196
(related)
|
| H00005 | Chronic lymphocytic leukemia (CLL) |
Q13315
(related)
|
| H00064 | Ataxia telangiectasia (AT) |
Q13315
(related)
|
| H00094 | DNA repair defects |
Q13315
(related)
|
| H00848 | Ataxia with ocular apraxia (AOA) |
Q13315
(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)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|
| H00403 | Disorders of nucleotide excision repair |
Q9Y253
(related)
|