PCIDB

KNApSAcK Metabolite C00035822

Metabolite

KNApSAcK Entry

id C00035822
Name Citral (E/Z)
CAS RN 5392-40-5
Standard InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
Standard InChI (Main Layer) InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3

Cluster

Phytochemical cluster No. 34
KCF-S cluster No. 1575

Link

ChEMBL

By standard InChI CHEMBL1080997
By standard InChI Main Layer CHEMBL1080997

KEGG

By LinkDB C01499

CTD

By CAS RN C007076

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1080997 CHEMBL1794399 (1)
3 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1080997 CHEMBL1614458 (1)
0 / 0
O00519 Fatty-acid amide hydrolase 1 Enzyme CHEMBL1080997 CHEMBL1099470 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL1080997 CHEMBL1794560 (1)
3 / 4
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1080997 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1080997 CHEMBL1613933 (1)
1 / 6

CTD interaction (12)

compound gene gene name gene description interaction interaction type form reference
pmid
C007076 1646 AKR1C2
AKR1C-pseudo
BABP
DD
DD2
DDH2
HAKRD
HBAB
MCDR2
SRXY8
aldo-keto reductase family 1, member C2 (EC:1.3.1.20 1.1.1.357) citral results in increased activity of AKR1C2 promoter increases activity
promoter 21195160
C007076 1646 AKR1C2
AKR1C-pseudo
BABP
DD
DD2
DDH2
HAKRD
HBAB
MCDR2
SRXY8
aldo-keto reductase family 1, member C2 (EC:1.3.1.20 1.1.1.357) citral results in increased expression of AKR1C2 mRNA increases expression
mRNA 20491607
C007076 1555 CYP2B6
CPB6
CYP2B
CYP2B7
CYP2B7P
CYPIIB6
EFVM
IIB1
P450
cytochrome P450, family 2, subfamily B, polypeptide 6 (EC:1.14.14.1) citral inhibits the reaction [CYP2B6 protein results in increased hydrolysis of Bupropion] decreases reaction
/ increases hydrolysis
protein 18611395
C007076 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 citral binds to ESR1 protein affects binding
protein 12495555
C007076 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 citral inhibits the reaction [Estradiol binds to ESR1 protein] affects binding
/ decreases reaction
protein 12495555
C007076 2100 ESR2
ER-BETA
ESR-BETA
ESRB
ESTRB
Erb
NR3A2
estrogen receptor 2 (ER beta) citral binds to ESR2 protein affects binding
protein 12495555
C007076 2100 ESR2
ER-BETA
ESR-BETA
ESRB
ESTRB
Erb
NR3A2
estrogen receptor 2 (ER beta) citral inhibits the reaction [Estradiol binds to ESR2 protein] affects binding
/ decreases reaction
protein 12495555
C007076 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) citral results in increased expression of HMOX1 mRNA increases expression
mRNA 20491607
C007076 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 Acetylcysteine inhibits the reaction [citral results in increased expression of IL8 mRNA] decreases reaction
/ increases expression
mRNA 21920952
C007076 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 citral results in increased expression of IL8 mRNA increases expression
mRNA 21920952
C007076 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 citral results in increased secretion of IL8 protein increases secretion
protein 20541004
C007076 23764 MAFF
U-MAF
hMafF
v-maf avian musculoaponeurotic fibrosarcoma oncogene homolog F citral results in increased expression of MAFF mRNA increases expression
mRNA 20491607

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (9)

KEGG disease name UniProt
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H00249 Thyroid hormone resistance syndrome P10828 (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)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D017449 C007076 Dermatitis, Allergic Contact marker/mechanism
22245253