PCIDB

KNApSAcK Metabolite C00002471

Metabolite

KNApSAcK Entry

id C00002471
Name Esculetin / Aesculetin / 6,7-Dihydroxycoumarin
CAS RN 305-01-1
Standard InChI InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
Standard InChI (Main Layer) InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 1030

Link

ChEMBL

By standard InChI CHEMBL244743
By standard InChI Main Layer CHEMBL244743

KEGG

By LinkDB C09263

CTD

By CAS RN C007628

Human Protein / Gene in interaction

40 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL244743 CHEMBL1741321 (1)
1 / 0
P22310 UDP-glucuronosyltransferase 1-4 Enzyme CHEMBL244743 CHEMBL1908081 (1) CHEMBL1908082 (1)
3 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL244743 CHEMBL1613842 (1)
4 / 2
Q9HAW8 UDP-glucuronosyltransferase 1-10 Enzyme CHEMBL244743 CHEMBL1908087 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL244743 CHEMBL2114784 (2)
1 / 1
P04062 Glucosylceramidase Enzyme CHEMBL244743 CHEMBL1613818 (1)
6 / 4
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL244743 CHEMBL1614076 (1) CHEMBL1614103 (1)
CHEMBL1614031 (1)
1 / 1
P29466 Caspase-1 C14 CHEMBL244743 CHEMBL1614158 (2)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL244743 CHEMBL1614544 (1)
11 / 10
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase CHEMBL244743 CHEMBL892636 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL244743 CHEMBL1741325 (1)
0 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL244743 CHEMBL1614166 (1)
1 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL244743 CHEMBL1008496 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL244743 CHEMBL1614458 (3)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL244743 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL244743 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P54855 UDP-glucuronosyltransferase 2B15 Enzyme CHEMBL244743 CHEMBL1908090 (1)
0 / 0
P15121 Aldose reductase Enzyme CHEMBL244743 CHEMBL1260797 (1)
0 / 0
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL244743 CHEMBL1963893 (1)
0 / 0
P06280 Alpha-galactosidase A Enzyme CHEMBL244743 CHEMBL1614217 (3) CHEMBL1614369 (3)
1 / 1
P56817 Beta-secretase 1 A1A CHEMBL244743 CHEMBL1936881 (1) CHEMBL1936882 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL244743 CHEMBL1741322 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL244743 CHEMBL1613910 (2) CHEMBL1614227 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL244743 CHEMBL1614038 (3)
2 / 2
Q9HAW9 UDP-glucuronosyltransferase 1-8 Enzyme CHEMBL244743 CHEMBL1908085 (1)
0 / 0
Q00796 Sorbitol dehydrogenase Enzyme CHEMBL244743 CHEMBL1260799 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL244743 CHEMBL1614240 (1)
0 / 0
P55210 Caspase-7 C14 CHEMBL244743 CHEMBL1613779 (2)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL244743 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL244743 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL244743 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL244743 CHEMBL1737991 (1)
0 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme CHEMBL244743 CHEMBL1908080 (1)
5 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL244743 CHEMBL1614421 (1)
4 / 3
P34949 Mannose-6-phosphate isomerase Enzyme CHEMBL244743 CHEMBL1614255 (1) CHEMBL1614547 (1)
1 / 1
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL244743 CHEMBL1794536 (2)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL244743 CHEMBL1613914 (3)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL244743 CHEMBL1738442 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL244743 CHEMBL2354311 (1)
1 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL244743 CHEMBL2114738 (1)
0 / 0

CTD interaction (28)

compound gene gene name gene description interaction interaction type form reference
pmid
C007628 581 BAX
BCL2L4
BCL2-associated X protein esculetin affects the localization of BAX protein affects localization
protein 19786087
C007628 581 BAX
BCL2L4
BCL2-associated X protein [esculetin co-treated with Paclitaxel] results in increased expression of BAX protein affects cotreatment
/ increases expression
protein 16051289
C007628 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 [esculetin co-treated with Paclitaxel] results in decreased expression of BCL2L1 protein affects cotreatment
/ decreases expression
protein 16051289
C007628 637 BID
FP497
BH3 interacting domain death agonist [arsenic trioxide co-treated with esculetin] results in increased cleavage of BID protein affects cotreatment
/ increases cleavage
protein 19428345
C007628 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) [esculetin co-treated with Paclitaxel] results in increased cleavage of and results in increased activity of CASP3 protein affects cotreatment
/ increases activity
/ increases cleavage
protein 16051289
C007628 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) [esculetin co-treated with Paclitaxel] results in increased cleavage of and results in increased activity of CASP8 protein affects cotreatment
/ increases activity
/ increases cleavage
protein 16051289
C007628 1312 COMT
catechol-O-methyltransferase (EC:2.1.1.6) COMT protein results in increased methylation of esculetin increases methylation
protein 11160877
C007628 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic [arsenic trioxide co-treated with esculetin] affects the localization of CYCS protein affects cotreatment
/ affects localization
protein 19428345
C007628 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic [esculetin co-treated with Paclitaxel] affects the localization of CYCS protein affects cotreatment
/ affects localization
protein 16051289
C007628 355 FAS
ALPS1A
APO-1
APT1
CD95
FAS1
FASTM
TNFRSF6
Fas cell surface death receptor [esculetin co-treated with Paclitaxel] results in increased expression of FAS protein affects cotreatment
/ increases expression
protein 16051289
C007628 356 FASLG
ALPS1B
APT1LG1
APTL
CD178
CD95-L
CD95L
FASL
TNFSF6
Fas ligand (TNF superfamily, member 6) [esculetin co-treated with Paclitaxel] results in increased expression of FASLG protein affects cotreatment
/ increases expression
protein 16051289
C007628 5594 MAPK1
ERK
ERK2
ERT1
MAPK2
P42MAPK
PRKM1
PRKM2
p38
p40
p41
p41mapk
mitogen-activated protein kinase 1 (EC:2.7.11.24) [esculetin co-treated with Paclitaxel] results in decreased expression of MAPK1 protein affects cotreatment
/ decreases expression
protein 16051289
C007628 5594 MAPK1
ERK
ERK2
ERT1
MAPK2
P42MAPK
PRKM1
PRKM2
p38
p40
p41
p41mapk
mitogen-activated protein kinase 1 (EC:2.7.11.24) esculetin results in decreased phosphorylation of and results in decreased activity of MAPK1 protein decreases activity
/ decreases phosphorylation
protein 16051289
C007628 1432 MAPK14
CSBP
CSBP1
CSBP2
CSPB1
EXIP
Mxi2
PRKM14
PRKM15
RK
SAPK2A
p38
p38ALPHA
mitogen-activated protein kinase 14 (EC:2.7.11.24) [esculetin co-treated with Paclitaxel] results in decreased expression of MAPK14 protein affects cotreatment
/ decreases expression
protein 16051289
C007628 1432 MAPK14
CSBP
CSBP1
CSBP2
CSPB1
EXIP
Mxi2
PRKM14
PRKM15
RK
SAPK2A
p38
p38ALPHA
mitogen-activated protein kinase 14 (EC:2.7.11.24) esculetin results in decreased phosphorylation of and results in decreased activity of MAPK14 protein decreases activity
/ decreases phosphorylation
protein 16051289
C007628 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) [esculetin co-treated with Paclitaxel] results in decreased expression of MAPK3 protein affects cotreatment
/ decreases expression
protein 16051289
C007628 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) esculetin results in decreased phosphorylation of and results in decreased activity of MAPK3 protein decreases activity
/ decreases phosphorylation
protein 16051289
C007628 5599 MAPK8
JNK
JNK-46
JNK1
JNK1A2
JNK21B1/2
PRKM8
SAPK1
SAPK1c
mitogen-activated protein kinase 8 (EC:2.7.11.24) [esculetin co-treated with Paclitaxel] results in increased expression of MAPK8 protein affects cotreatment
/ increases expression
protein 16051289
C007628 5599 MAPK8
JNK
JNK-46
JNK1
JNK1A2
JNK21B1/2
PRKM8
SAPK1
SAPK1c
mitogen-activated protein kinase 8 (EC:2.7.11.24) esculetin results in increased expression of MAPK8 protein increases expression
protein 16051289
C007628 5599 MAPK8
JNK
JNK-46
JNK1
JNK1A2
JNK21B1/2
PRKM8
SAPK1
SAPK1c
mitogen-activated protein kinase 8 (EC:2.7.11.24) esculetin results in increased phosphorylation of MAPK8 protein increases phosphorylation
protein 19786087
C007628 5601 MAPK9
JNK-55
JNK2
JNK2A
JNK2ALPHA
JNK2B
JNK2BETA
PRKM9
SAPK
SAPK1a
p54a
p54aSAPK
mitogen-activated protein kinase 9 (EC:2.7.11.24) [esculetin co-treated with Paclitaxel] results in increased expression of MAPK9 protein affects cotreatment
/ increases expression
protein 16051289
C007628 5601 MAPK9
JNK-55
JNK2
JNK2A
JNK2ALPHA
JNK2B
JNK2BETA
PRKM9
SAPK
SAPK1a
p54a
p54aSAPK
mitogen-activated protein kinase 9 (EC:2.7.11.24) esculetin results in increased expression of MAPK9 protein increases expression
protein 16051289
C007628 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 esculetin results in increased localization of NFE2L2 protein increases localization
protein 20933534
C007628 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) esculetin results in increased expression of and results in increased activity of NQO1 protein increases activity
/ increases expression
protein 20933534
C007628 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) esculetin results in increased expression of NQO1 mRNA increases expression
mRNA 20933534
C007628 8797 TNFRSF10A
APO2
CD261
DR4
TRAILR-1
TRAILR1
tumor necrosis factor receptor superfamily, member 10a esculetin results in increased expression of TNFRSF10A protein increases expression
protein 19786087
C007628 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 esculetin results in increased degradation of TP53 protein increases degradation
protein 14634213
C007628 7366 UGT2B15
HLUG4
UDPGT_2B8
UDPGT2B15
UDPGTH3
UGT2B8
UDP glucuronosyltransferase 2 family, polypeptide B15 (EC:2.4.1.17) UGT2B15 protein results in increased metabolism of esculetin increases metabolic processing
protein 7835232

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (44)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#602579 Congenital disorder of glycosylation, type ib; cdg1b P34949
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#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
#143500 Gilbert syndrome P22309
P22310
#137800 Glioma susceptibility 1; glm1 O75874
#232300 Glycogen storage disease ii P10253
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275210 Restrictive dermopathy, lethal P02545
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#278300 Xanthinuria, type i P47989

KEGG DISEASE (32)

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)
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)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00208 Hyperbilirubinemia P22309 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00118 Congenital disorders of glycosylation (CDG) type I P34949 (related)
H00192 Xanthinuria P47989 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (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)

Diseases related to CTD interactions

4 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D003093 C007628 Colitis, Ulcerative therapeutic
20380826
D003967 C007628 Diarrhea therapeutic
20380826
D007674 C007628 Kidney Diseases therapeutic
21450970
D014693 C007628 Ventricular Fibrillation therapeutic
1632298