PCIDB

KNApSAcK Metabolite C00000970

Metabolite

KNApSAcK Entry

id C00000970
Name Hesperidin
CAS RN 520-26-3
Standard InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10?,17-,19?,21-,22+,23?,24-,25-,26?,27+,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 48

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL265606 CHEMBL449317 CHEMBL1314714 CHEMBL1328143 CHEMBL1535112 CHEMBL1574000 CHEMBL2140112

KEGG

By LinkDB C09755

CTD

By CAS RN D006569

Human Protein / Gene in interaction

24 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1314714 CHEMBL1741321 (1)
1 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL449317 CHEMBL1738312 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL449317 CHEMBL1614079 (1)
0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL449317 CHEMBL1794585 (1)
0 / 0
P62158 Calmodulin Unclassified protein CHEMBL449317 CHEMBL1647731 (1) CHEMBL1647732 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1314714 CHEMBL1741325 (1)
0 / 1
Q9GZU7 Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 Enzyme CHEMBL449317 CHEMBL1794574 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL449317 CHEMBL1794569 (1)
1 / 1
P11308 Transcriptional regulator ERG Unclassified protein CHEMBL1574000 CHEMBL2114924 (1)
1 / 2
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1574000 CHEMBL1794401 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1314714 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1314714 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1314714 CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL449317 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL449317 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1535112 CHEMBL1614211 (1)
0 / 0
Q9Y251 Heparanase Enzyme CHEMBL449317 CHEMBL2349718 (1) CHEMBL2349719 (1)
CHEMBL2349720 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1535112 CHEMBL1794536 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1535112 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL1314714 CHEMBL1614257 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1314714 CHEMBL1614257 (1)
1 / 3
Q02410 Amyloid beta A4 precursor protein-binding family A member 1 Unclassified protein CHEMBL449317 CHEMBL1614128 (1) CHEMBL1614304 (1)
0 / 0
Q00975 Voltage-dependent N-type calcium channel subunit alpha-1B N-TYPE CHEMBL449317 CHEMBL1614128 (1) CHEMBL1614304 (1)
0 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL449317 CHEMBL2114738 (1)
0 / 0

CTD interaction (23)

compound gene gene name gene description interaction interaction type form reference
pmid
D006569 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 Hesperidin inhibits the reaction [Glucose results in increased expression of ICAM1] decreases reaction
/ increases expression
22074828
D006569 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 Hesperidin inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 3383 ICAM1
BB2
CD54
P3.58
intercellular adhesion molecule 1 Hesperidin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 3553 IL1B
IL-1
IL1-BETA
IL1F2
interleukin 1, beta Hesperidin inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 3553 IL1B
IL-1
IL1-BETA
IL1F2
interleukin 1, beta Hesperidin inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 3553 IL1B
IL-1
IL1-BETA
IL1F2
interleukin 1, beta Hesperidin inhibits the reaction [Lipopolysaccharides results in increased secretion of IL1B protein] decreases reaction
/ increases secretion
protein 17400256
D006569 3553 IL1B
IL-1
IL1-BETA
IL1F2
interleukin 1, beta Hesperidin inhibits the reaction [TNF protein co-treated with and results in increased expression of IL1B protein co-treated with and results in increased expression of IL8 protein] affects cotreatment
/ decreases reaction
/ increases expression
protein 17400256
D006569 3569 IL6
BSF2
HGF
HSF
IFNB2
IL-6
interleukin 6 (interferon, beta 2) Hesperidin inhibits the reaction [Lipopolysaccharides results in increased secretion of IL6 protein] decreases reaction
/ increases secretion
protein 17400256
D006569 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 Hesperidin inhibits the reaction [Lipopolysaccharides results in increased secretion of IL8 protein] decreases reaction
/ increases secretion
protein 17400256
D006569 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 Hesperidin inhibits the reaction [TNF protein co-treated with and results in increased expression of IL1B protein co-treated with and results in increased expression of IL8 protein] affects cotreatment
/ decreases reaction
/ increases expression
protein 17400256
D006569 5599 MAPK8
JNK
JNK-46
JNK1
JNK1A2
JNK21B1/2
PRKM8
SAPK1
SAPK1c
mitogen-activated protein kinase 8 (EC:2.7.11.24) Hesperidin inhibits the reaction [Acetaldehyde results in increased phosphorylation of MAPK8 protein] decreases reaction
/ increases phosphorylation
protein 19110045
D006569 5601 MAPK9
JNK-55
JNK2
JNK2A
JNK2ALPHA
JNK2B
JNK2BETA
PRKM9
SAPK
SAPK1a
p54a
p54aSAPK
mitogen-activated protein kinase 9 (EC:2.7.11.24) Hesperidin inhibits the reaction [Acetaldehyde results in increased phosphorylation of MAPK9 protein] decreases reaction
/ increases phosphorylation
protein 19110045
D006569 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) Hesperidin inhibits the reaction [Acetaldehyde results in increased expression of and results in increased activity of MMP9 protein] decreases reaction
/ increases activity
/ increases expression
protein 19110045
D006569 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) Hesperidin inhibits the reaction [Acetaldehyde results in increased expression of MMP9 mRNA] decreases reaction
/ increases expression
mRNA 19110045
D006569 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) Hesperidin inhibits the reaction [Tetradecanoylphorbol Acetate results in increased expression of MMP9 mRNA] decreases reaction
/ increases expression
mRNA 20138977
D006569 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) Hesperidin results in decreased secretion of MMP9 protein decreases secretion
protein 19110045
D006569 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) Hesperidin inhibits the reaction [Acetaldehyde results in increased expression of PTGS2 mRNA] decreases reaction
/ increases expression
mRNA 19110045
D006569 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor Hesperidin inhibits the reaction [Lipopolysaccharides results in increased secretion of TNF protein] decreases reaction
/ increases secretion
protein 17400256
D006569 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor Hesperidin inhibits the reaction [TNF protein co-treated with and results in increased expression of IL1B protein co-treated with and results in increased expression of IL8 protein] affects cotreatment
/ decreases reaction
/ increases expression
protein 17400256
D006569 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor Hesperidin inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 7124 TNF
DIF
TNF-alpha
TNFA
TNFSF2
tumor necrosis factor Hesperidin inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 7412 VCAM1
CD106
INCAM-100
vascular cell adhesion molecule 1 Hesperidin inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] decreases reaction
/ increases expression
protein 17400256
D006569 7412 VCAM1
CD106
INCAM-100
vascular cell adhesion molecule 1 Hesperidin inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] decreases reaction
/ increases expression
protein 17400256

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#612219 Ewing sarcoma; es P11308
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#614916 Ventricular tachycardia, catecholaminergic polymorphic, 4; cpvt4 P62158
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (14)

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)
H00036 Osteosarcoma P08684 (marker)
H00024 Prostate cancer P11308 (related)
H00035 Ewing's sarcoma P11308 (related)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (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) Q9NUW8 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)

Diseases related to CTD interactions

5 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D058186 D006569 Acute Kidney Injury therapeutic
22093918
D055371 D006569 Acute Lung Injury therapeutic
17400256
D056486 D006569 Drug-Induced Liver Injury therapeutic
22093918
D008171 D006569 Lung Diseases therapeutic
17868207
D012128 D006569 Respiratory Distress Syndrome, Adult marker/mechanism
17400256