Species

KNApSAcK Entry

Organism name Aesculus hippocastanum
Genus Aesculus
Family Sapindaceae
Kingdom Plantae

NCBI taxonomy

Entry

Linked NCBI taxonomy name Aesculus hippocastanum
Linked NCBI taxonomy ID 43364
Linked level species

Family

Family in NCBI taxonomy Hippocastanaceae
ID 910346

Kingdom (Superkingdom)

Kingdom (Superkingdom) in NCBI taxonomy Viridiplantae
ID 33090

Plant class

Plant class rosids
ID 71275

Metabolite list (34)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
KCF-S
cluster
phytochemical
cluster
figure
C00005435 External link 512 Quercetin 3,3'-diglucoside
No. 1 No. 15
C00005132 External link 512 Juglanin
/ Kaempferol 3-O-arabinoside
/ (-)-Kaempferol 3-O-arabinoside
CHEMBL469440
No. 2 No. 15
C00005386 External link 512 Quercetin 3'-glucoside
/ 3,5,7,3',4'-Pentahydroxyflavone
CHEMBL1222354
No. 2 No. 15
C00006062 External link 512 Quercetin 3'-glucoside-7-acetate
No. 2 No. 15
C00004649 External link 512 Quercetin 7,3',4'-trimethyl ether
/ 3,5-Dihydroxy-7,3',4'-trimethoxyflavone
/ 2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CHEMBL1689343
1 / 2 / 0 No. 3 No. 15
C00004642 External link 512 Rhamnazin
/ 7,3'-Di-O-methylquercetin
/ 3,4',5-Trihydroxy-3',7-dimethoxyflavone
/ 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CHEMBL457148
No. 3 No. 15
C00004773 External link 512 Myricetin 7,3',4'-trimethyl ether
No. 3 No. 15
C00003497 External link 512 Aescin
CHEMBL403501
CHEMBL405484
CHEMBL507233
CHEMBL505939
CHEMBL1159568
CHEMBL1875956
D004928
3 / 0 / 0 No. 4 No. 51
C00005476 External link 512 Quercetin 3-sambubioside-3'-glucoside
CHEMBL474596
No. 5 No. 15
C00003505 External link 512 Barringtogenol C
CHEMBL487606
No. 13 No. 51
C00009076 External link 512 Procyanidin B5
/ Epicatechin-(4beta-6)-epicatechin
CHEMBL506487
CHEMBL502984
CHEMBL451115
No. 16 No. 19
C00002935 External link 512 Procyanidin B4
/ Catechin-(4alpha->8)-epicatechin
CHEMBL38714
CHEMBL81753
CHEMBL504937
CHEMBL501490
CHEMBL447373
CHEMBL1253314
CHEMBL1590914
20 / 7 / 8 No. 16 No. 19
C00002934 External link 512 Proanthocyanidin A2
/ Proanthocyanidin A-2
/ (+)-Proanthocyanidin A-2
CHEMBL286933
CHEMBL81646
CHEMBL450916
C473740
13 / 3 / 4 No. 16 No. 19
C00009277 External link 512 Proanthocyanidin A1
CHEMBL286933
CHEMBL81646
CHEMBL450916
13 / 3 / 4 No. 16 No. 19
C00009278 External link 512 Proanthocyanidin A4
CHEMBL286933
CHEMBL81646
CHEMBL450916
13 / 3 / 4 No. 16 No. 19
C00009275 External link 512 Proanthocyanidin A7
No. 16 No. 19
C00009075 External link 512 Procyanidin B1
/ Epicatechin-(4beta->8)-catechin
CHEMBL38714
CHEMBL81753
CHEMBL504937
CHEMBL501490
CHEMBL447373
CHEMBL1253314
CHEMBL1590914
C479579
20 / 7 / 8 No. 16 No. 19
C00009276 External link 512 Proanthocyanidin A6
No. 16 No. 19
C00009077 External link 512 Procyanidin B2
/ Epicathechin-(4beta->8)-epicathechin
CHEMBL38714
CHEMBL81753
CHEMBL504937
CHEMBL501490
CHEMBL447373
CHEMBL1253314
CHEMBL1590914
C479580
20 / 7 / 8 10 / 0 No. 16 No. 19
C00009071 External link 512 Procyanidin B3
/ Catechin-(4alpha->8)-catechin
CHEMBL38714
CHEMBL81753
CHEMBL504937
CHEMBL501490
CHEMBL447373
CHEMBL1253314
CHEMBL1590914
20 / 7 / 8 No. 16 No. 19
C00009098 External link 512 Procyanidin C1
/ [Epicatechin-(4beta->8)]2-epicatechin
CHEMBL290632
13 / 5 / 6 No. 29 No. 19
C00009084 External link 512 [Epicatechin-(4beta->6)]2-epicatechin
No. 29 No. 19
C00009300 External link 512 Aesculitannin C
CHEMBL506298
No. 29 No. 19
C00009298 External link 512 Epicatechin-(4alpha->8)-epicatechin-(2beta->7,4beta->8)-epicatechin
CHEMBL503368
No. 29 No. 19
C00009293 External link 512 Aesculitannin B
CHEMBL540956
CHEMBL81478
CHEMBL445468
CHEMBL1213875
CHEMBL1213876
14 / 4 / 7 No. 29 No. 19
C00009292 External link 512 Pavetannin B 1
CHEMBL540956
CHEMBL81478
CHEMBL445468
CHEMBL1213875
CHEMBL1213876
14 / 4 / 7 No. 29 No. 19
C00009291 External link 512 Cinnamtannin B1
CHEMBL540956
CHEMBL81478
CHEMBL445468
CHEMBL1213875
CHEMBL1213876
14 / 4 / 7 No. 29 No. 19
C00009309 External link 512 Aesculitannin G
No. 113 No. 19
C00009308 External link 512 Cinnamtannin B2
CHEMBL410924
CHEMBL411351
CHEMBL502146
11 / 2 / 2 No. 113 No. 19
C00009304 External link 512 Pavetannin C2
No. 113 No. 19
C00013284 External link 512 Aesculitannin E
/ (+)-Aesculitannin E
No. 113 No. 19
C00002474 External link 512 Fraxin
CHEMBL293864
C080614
11 / 3 / 5 No. 491 No. 25
C00002472 External link 512 Esculin
CHEMBL359043
CHEMBL482581
CHEMBL1434042
CHEMBL1515174
CHEMBL1536019
CHEMBL1619714
CHEMBL1624854
D004929
22 / 18 / 24 0 / 1 No. 491 No. 25
C00002473 External link 512 Fraxetin
CHEMBL54909
C105671
32 / 21 / 23 6 / 0 No. 864 No. 25

Human Protein / Gene in interactions

66 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
Q04759 Protein kinase C theta type Delta C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 1
Q15139 Serine/threonine-protein kinase D1 Pkd C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
P17252 Protein kinase C alpha type Alpha C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
P41743 Protein kinase C iota type Iota C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
Q05655 Protein kinase C delta type Delta C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
P24723 Protein kinase C eta type Eta C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 1 / 0
P05771 Protein kinase C beta type Alpha C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
O94806 Serine/threonine-protein kinase D3 Pkd C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
Q02156 Protein kinase C epsilon type Eta C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
P05129 Protein kinase C gamma type Alpha C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 1 / 1
Q05513 Protein kinase C zeta type Iota C00002934 C00002935 C00009071 C00009075 C00009077 C00009098 C00009277 C00009278 C00009291 C00009292 C00009293 C00009308 0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00002472 C00002473 C00002935 C00009071 C00009075 C00009077 3 / 3
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00002472 C00002473 C00002935 C00009071 C00009075 C00009077 1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00002472 C00002473 C00002935 C00009071 C00009075 C00009077 0 / 1
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00002472 C00002935 C00009071 C00009075 C00009077 1 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme C00002473 C00002935 C00009071 C00009075 C00009077 0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00002472 C00002935 C00009071 C00009075 C00009077 0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00002472 C00002935 C00009071 C00009075 C00009077 0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00002472 C00009291 C00009292 C00009293 0 / 3
P23467 Receptor-type tyrosine-protein phosphatase beta Receptor tyrosine-protein phosphatase C00002935 C00009071 C00009075 C00009077 0 / 0
P18433 Receptor-type tyrosine-protein phosphatase alpha Receptor tyrosine-protein phosphatase C00002935 C00009071 C00009075 C00009077 0 / 0
P49763 Placenta growth factor Unclassified protein C00002934 C00009277 C00009278 0 / 0
P12931 Proto-oncogene tyrosine-protein kinase Src Src C00009291 C00009292 C00009293 0 / 0
O75496 Geminin Unclassified protein C00002472 C00002473 C00002474 0 / 0
P15692 Vascular endothelial growth factor A Secreted protein C00002934 C00009277 C00009278 1 / 2
Q06187 Tyrosine-protein kinase BTK Tec C00009291 C00009292 C00009293 2 / 2
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00002472 C00002473 1 / 2
O00255 Menin Unclassified protein C00002472 C00002473 2 / 5
P43166 Carbonic anhydrase 7 Lyase C00002473 C00002474 0 / 0
P00915 Carbonic anhydrase 1 Lyase C00002473 C00002474 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00002472 C00002474 0 / 0
P55210 Caspase-7 C14 C00002472 C00002473 0 / 0
P00918 Carbonic anhydrase 2 Lyase C00002473 C00002474 1 / 2
Q9UNA4 DNA polymerase iota Enzyme C00002473 C00002474 0 / 0
O43570 Carbonic anhydrase 12 Lyase C00002473 C00002474 1 / 2
Q16790 Carbonic anhydrase 9 Lyase C00002473 C00002474 0 / 1
P00352 Retinal dehydrogenase 1 Enzyme C00002472 C00002473 0 / 0
P29466 Caspase-1 C14 C00002472 C00002473 0 / 0
Q99700 Ataxin-2 Unclassified protein C00002473 C00002474 1 / 1
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme C00002472 C00002473 2 / 2
Q8N1Q1 Carbonic anhydrase 13 Lyase C00002473 C00002474 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00002472 C00002473 0 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme C00002473 C00002474 0 / 0
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette C00004649 2 / 0
P08253 72 kDa type IV collagenase M10A C00009098 1 / 3
P28482 Mitogen-activated protein kinase 1 Erk C00002473 0 / 0
O75164 Lysine-specific demethylase 4A Enzyme C00002473 0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00002473 0 / 0
P10636 Microtubule-associated protein tau Unclassified protein C00002473 4 / 3
P06280 Alpha-galactosidase A Enzyme C00002472 1 / 1
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme C00002472 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00002473 1 / 1
P42226 Signal transducer and activator of transcription 6 Unclassified protein C00002472 0 / 0
P51684 C-C chemokine receptor type 6 CC chemokine receptor C00003497 0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor C00002473 0 / 0
P39748 Flap endonuclease 1 Enzyme C00002473 0 / 0
O15296 Arachidonate 15-lipoxygenase B Enzyme C00002472 0 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase C00002473 0 / 0
P32302 C-X-C chemokine receptor type 5 CXC chemokine receptor C00003497 0 / 0
P35414 Apelin receptor Neuropeptide receptor C00003497 0 / 0
P14780 Matrix metalloproteinase-9 M10A C00009098 2 / 2
P10253 Lysosomal alpha-glucosidase Hydrolase C00002472 1 / 1
P04062 Glucosylceramidase Enzyme C00002472 6 / 4
P09917 Arachidonate 5-lipoxygenase Oxidoreductase C00002473 0 / 0
Q16637 Survival motor neuron protein Unclassified protein C00002473 4 / 1
Q9UBT6 DNA polymerase kappa Enzyme C00002473 0 / 0

12 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
581 BAX, BCL2L4 BCL2-associated X protein C00002473 C00009077
836 CASP3, CPP32, CPP32B, SCA-1 caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) C00002473 C00009077
842 CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56 caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) C00002473 C00009077
54205 CYCS, CYC, HCS, THC4 cytochrome c, somatic C00002473 C00009077
207 AKT1, AKT, CWS6, PKB, PKB-ALPHA, PRKBA, RAC, RAC-ALPHA v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) C00009077
6648 SOD2, IPOB, MNSOD, MVCD6 superoxide dismutase 2, mitochondrial (EC:1.15.1.1) C00002473
847 CAT catalase (EC:1.11.1.6) C00002473
2932 GSK3B glycogen synthase kinase 3 beta (EC:2.7.11.1 2.7.11.26) C00009077
5594 MAPK1, ERK, ERK2, ERT1, MAPK2, P42MAPK, PRKM1, PRKM2, p38, p40, p41, p41mapk mitogen-activated protein kinase 1 (EC:2.7.11.24) C00009077
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) C00009077
4240 MFGE8, BA46, EDIL1, HMFG, HsT19888, MFG-E8, MFGM, OAcGD3S, SED1, SPAG10, hP47 milk fat globule-EGF factor 8 protein C00009077
7153 TOP2A, TOP2, TP2A topoisomerase (DNA) II alpha 170kDa (EC:5.99.1.3) C00009077

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (40)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#300755 Agammaglobulinemia, x-linked; xla Q06187
#614490 Blood group, junior system; jr Q9UNQ0
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#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
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#143860 Hyperchlorhidrosis, isolated O43570
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#603932 Intervertebral disc disease; idd P14780
#307200 Isolated growth hormone deficiency, type iii; ighd3 Q06187
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#603933 Microvascular complications of diabetes, susceptibility to, 1; mvcd1 P15692
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#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
#605361 Spinocerebellar ataxia 14; sca14 P05129
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601367 Stroke, ischemic P24723
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0

KEGG DISEASE (40)

KEGG 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)
H01302 Hyperchlorhidrosis isolated (HCHLH) O43570 (related)
H00021 Renal cell carcinoma O43570 (marker)
P15692 (marker)
Q16790 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (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)
H00063 Spinocerebellar ataxia (SCA) P05129 (related)
Q99700 (related)
Q9NUW8 (related)
H00125 Fabry disease P06280 (related)
H00025 Penile cancer P08253 (related)
P14780 (related)
P35354 (related)
H00028 Choriocarcinoma P08253 (related)
H00472 Torg-Winchester syndrome P08253 (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)
H00479 Metaphyseal dysplasias P14780 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00018 Gastric cancer P15692 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00017 Esophageal cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (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)
H00408 Type I diabetes mellitus Q04759 (related)
H00085 Agammaglobulinemias Q06187 (related)
H00254 Pituitary Dwarfism (PD) Q06187 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (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

1 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D013272 Stomach Diseases C00002472