PCIDB

KNApSAcK Metabolite C00002713

Metabolite

KNApSAcK Entry

id C00002713
Name Anethole
CAS RN 104-46-1
Standard InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Standard InChI (Main Layer) InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 2748

Link

ChEMBL

By standard InChI CHEMBL452630
By standard InChI Main Layer CHEMBL452630 CHEMBL1468832

KEGG

By LinkDB C10428

CTD

By CAS RN C006578

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1468832 CHEMBL1613995 (1)
7 / 44
P02545 Prelamin-A/C Unclassified protein CHEMBL1468832 CHEMBL1614544 (1)
11 / 10
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1468832 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL452630 CHEMBL1614458 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1468832 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL452630 CHEMBL1613914 (1)
0 / 0

CTD interaction (34)

compound gene gene name gene description interaction interaction type form reference
pmid
C006578 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) anethole results in decreased phosphorylation of AKT1 protein decreases phosphorylation
protein 21212515
C006578 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 anethole metabolite binds to ESR1 protein affects binding
protein 12818366
C006578 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 anethole metabolite inhibits the reaction [Estradiol binds to ESR1 protein] affects binding
/ decreases reaction
protein 12818366
C006578 3551 IKBKB
IKK-beta
IKK2
IKKB
NFKBIKB
inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta (EC:2.7.11.10) anethole results in decreased activity of IKBKB protein decreases activity
protein 10871845
C006578 5604 MAP2K1
CFC3
MAPKK1
MEK1
MKK1
PRKMK1
mitogen-activated protein kinase kinase 1 (EC:2.7.12.2) anethole inhibits the reaction [TNF protein results in increased activity of MAP2K1 protein] decreases reaction
/ increases activity
protein 10871845
C006578 5594 MAPK1
ERK
ERK2
ERT1
MAPK2
P42MAPK
PRKM1
PRKM2
p38
p40
p41
p41mapk
mitogen-activated protein kinase 1 (EC:2.7.11.24) anethole results in decreased phosphorylation of MAPK1 protein decreases phosphorylation
protein 21212515
C006578 5595 MAPK3
ERK-1
ERK1
ERT2
HS44KDAP
HUMKER1A
P44ERK1
P44MAPK
PRKM3
p44-ERK1
p44-MAPK
mitogen-activated protein kinase 3 (EC:2.7.11.24) anethole results in decreased phosphorylation of MAPK3 protein decreases phosphorylation
protein 21212515
C006578 5599 MAPK8
JNK
JNK-46
JNK1
JNK1A2
JNK21B1/2
PRKM8
SAPK1
SAPK1c
mitogen-activated protein kinase 8 (EC:2.7.11.24) anethole inhibits the reaction [TNF protein results in increased activity of MAPK8 protein] decreases reaction
/ increases activity
protein 10871845
C006578 4313 MMP2
CLG4
CLG4A
MMP-II
MONA
TBE-1
matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) (EC:3.4.24.24) anethole results in decreased activity of MMP2 protein decreases activity
protein 21212515
C006578 4313 MMP2
CLG4
CLG4A
MMP-II
MONA
TBE-1
matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) (EC:3.4.24.24) anethole results in decreased expression of MMP2 mRNA decreases expression
mRNA 21212515
C006578 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) anethole results in decreased activity of MMP9 protein decreases activity
protein 21212515
C006578 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) anethole results in decreased expression of MMP9 mRNA decreases expression
mRNA 21212515
C006578 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 anethole inhibits the reaction [Ceramides results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 anethole inhibits the reaction [Hydrogen Peroxide results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 anethole inhibits the reaction [Lipopolysaccharides results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 anethole inhibits the reaction [Okadaic Acid results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 4790 NFKB1
EBP-1
KBF1
NF-kB1
NF-kappa-B
NF-kappaB
NFKB-p105
NFKB-p50
NFkappaB
p105
p50
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 anethole inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha anethole inhibits the reaction [TNF protein results in increased degradation of NFKBIA protein] decreases reaction
/ increases degradation
protein 10871845
C006578 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha anethole inhibits the reaction [TNF protein results in increased phosphorylation of NFKBIA protein] decreases reaction
/ increases phosphorylation
protein 10871845
C006578 4792 NFKBIA
IKBA
MAD-3
NFKBI
nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha anethole results in decreased degradation of NFKBIA protein decreases degradation
protein 21212515
C006578 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) anethole inhibits the reaction [TNF protein results in increased cleavage of PARP1 protein] decreases reaction
/ increases cleavage
protein 10871845
C006578 5328 PLAU
ATF
BDPLT5
QPD
UPA
URK
u-PA
plasminogen activator, urokinase (EC:3.4.21.73) anethole results in decreased expression of PLAU mRNA decreases expression
mRNA 21212515
C006578 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A anethole inhibits the reaction [Ceramides results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A anethole inhibits the reaction [Hydrogen Peroxide results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A anethole inhibits the reaction [Lipopolysaccharides results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A anethole inhibits the reaction [Okadaic Acid results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A anethole inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 7076 TIMP1
CLGI
EPA
EPO
HCI
TIMP
TIMP metallopeptidase inhibitor 1 anethole results in increased expression of TIMP1 mRNA increases expression
mRNA 21212515
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased activity of MAP2K1 protein] decreases reaction
/ increases activity
protein 10871845
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased activity of MAPK8 protein] decreases reaction
/ increases activity
protein 10871845
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]] affects binding
/ decreases reaction
/ increases activity
protein 10871845
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased cleavage of PARP1 protein] decreases reaction
/ increases cleavage
protein 10871845
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased degradation of NFKBIA protein] decreases reaction
/ increases degradation
protein 10871845
C006578 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor anethole inhibits the reaction [TNF protein results in increased phosphorylation of NFKBIA protein] decreases reaction
/ increases phosphorylation
protein 10871845

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (21)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#260500 Papilloma of choroid plexus; cpp P04637
#275210 Restrictive dermopathy, lethal P02545
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (49)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)

Diseases related to CTD interactions

13 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001919 C006578 Bradycardia marker/mechanism
16325210
D002286 C006578 Carcinoma, Ehrlich Tumor therapeutic
7549823
D003877 C006578 Dermatitis, Contact marker/mechanism
710096
1032123
D056486 C006578 Drug-Induced Liver Injury marker/mechanism
2467866
D005767 C006578 Gastrointestinal Diseases therapeutic
17709257
D007022 C006578 Hypotension marker/mechanism
16325210
D007249 C006578 Inflammation therapeutic
15890516
D008107 C006578 Liver Diseases marker/mechanism
2467866
D008113 C006578 Liver Neoplasms marker/mechanism
2467866
D009362 C006578 Neoplasm Metastasis therapeutic
21212515
D010243 C006578 Paralysis therapeutic
17709257
D013276 C006578 Stomach Ulcer therapeutic
15890516
D013927 C006578 Thrombosis therapeutic
17709257