Species

KNApSAcK Entry

Organism name Bupleurum rotundifolium L.
Genus Bupleurum
Family Apiaceae
Kingdom Plantae

NCBI taxonomy

Entry

Linked NCBI taxonomy name Bupleurum rotundifolium
Linked NCBI taxonomy ID 90446
Linked level species

Family

Family in NCBI taxonomy Apiaceae
ID 4037

Kingdom (Superkingdom)

Kingdom (Superkingdom) in NCBI taxonomy Viridiplantae
ID 33090

Plant class

Plant class asterids
ID 71274

Metabolite list (5)

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
C00005413 External link 512 Rutin
/ Birutan
/ 3-Rutinosylquercetin
/ Quercetin 3-O-rutinoside
/ (+)-Quercetin 3-O-rutinoside
/ Quercetin 3-O-beta-rutinoside
/ (+)-Quercetin 3-O-beta-rutinoside
/ 3,3',4',5,7-Pentahydroxyflavone 3-rutinoside
/ Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
CHEMBL32579
CHEMBL310754
CHEMBL182108
CHEMBL226335
CHEMBL502782
CHEMBL1436093
CHEMBL1532989
D012431
25 / 18 / 16 29 / 8 No. 1 No. 15
C00005373 External link 512 Hirsutrin
/ Isoquercetin
/ Isoquercetrin
/ (-)-Isoquercetrin
/ Quercetin 3-glucoside
/ Quercetin 3-O-beta-D-glucoside
/ Quercetin-3-O-beta-D-glucopyranoside
/ Quercetin 3-O-beta-D-glucopyranoside
/ (-)-Quercetin-3-O-beta-D-glucopyranoside
CHEMBL33027
CHEMBL309323
CHEMBL250450
CHEMBL251254
CHEMBL457304
CHEMBL1098724
CHEMBL2337335
CHEMBL2337336
38 / 43 / 34 No. 2 No. 15
C00005525 External link 512 Isorhamnetin 3-glucoside
/ Isorhamnetin 3-O-glucoside
/ Isorhamnetin 3-O-beta-D-glucoside
/ Isorhamnetin 3-O-beta-D-glucopyranoside
CHEMBL234316
CHEMBL516621
1 / 1 / 0 No. 2 No. 15
C00005374 External link 512 Quercetin
CHEMBL82242
CHEMBL479232
CHEMBL1437696
C012526
14 / 2 / 2 2 / 1 No. 2 No. 15
C00004635 External link 512 Isorhamnetin
/ 3'-O-Methylquercetin
/ 3,4',5,7-Tetrahydroxy-3'-methoxyflavone
/ 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CHEMBL379064
C047368
12 / 10 / 13 10 / 0 No. 3 No. 15

Human Protein / Gene in interactions

61 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00004635 C00005373 C00005374 C00005413 0 / 0
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase C00004635 C00005373 C00005374 C00005413 1 / 1
Q9UBT6 DNA polymerase kappa Enzyme C00004635 C00005373 C00005374 C00005413 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00005373 C00005374 C00005413 0 / 0
P39748 Flap endonuclease 1 Enzyme C00004635 C00005373 C00005374 0 / 0
Q9UNA4 DNA polymerase iota Enzyme C00005373 C00005374 0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00005373 C00005413 0 / 3
P06746 DNA polymerase beta Enzyme C00005373 C00005413 0 / 0
P08908 5-hydroxytryptamine receptor 1A Serotonin receptor C00005373 C00005525 1 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase C00005373 C00005413 1 / 1
P10636 Microtubule-associated protein tau Unclassified protein C00005373 C00005413 4 / 3
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00005373 C00005413 0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor C00005373 C00005413 0 / 0
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette C00005373 C00005413 2 / 0
P07237 Protein disulfide-isomerase Enzyme C00005373 C00005374 0 / 0
P28482 Mitogen-activated protein kinase 1 Erk C00005373 C00005413 0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein C00005373 C00005413 1 / 0
P14679 Tyrosinase Oxidoreductase C00005373 C00005413 4 / 2
Q9Y253 DNA polymerase eta Enzyme C00005373 C00005374 1 / 1
P15121 Aldose reductase Enzyme C00005373 C00005374 0 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme C00005373 C00005374 0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00005413 0 / 1
O75496 Geminin Unclassified protein C00005373 0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor C00005413 0 / 0
P41143 Delta-type opioid receptor Opioid receptor C00005373 0 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00005374 0 / 0
P27487 Dipeptidyl peptidase 4 S9B C00005413 0 / 1
P41145 Kappa-type opioid receptor Opioid receptor C00005373 0 / 0
P09923 Intestinal-type alkaline phosphatase Enzyme C00005373 0 / 0
P05186 Alkaline phosphatase, tissue-nonspecific isozyme Enzyme C00005373 3 / 1
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein C00005374 0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme C00005413 0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase C00005413 0 / 0
Q16678 Cytochrome P450 1B1 Cytochrome P450 1B1 C00004635 4 / 4
P06276 Cholinesterase Hydrolase C00005413 0 / 0
P06280 Alpha-galactosidase A Enzyme C00005373 1 / 1
P04745 Alpha-amylase 1 Enzyme C00004635 0 / 0
P04792 Heat shock protein beta-1 Unclassified protein C00004635 2 / 1
P10696 Alkaline phosphatase, placental-like Enzyme C00005373 0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00004635 0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00005413 3 / 3
P04798 Cytochrome P450 1A1 Cytochrome P450 1A1 C00004635 0 / 0
P03372 Estrogen receptor NR3A1 C00005413 1 / 1
P22303 Acetylcholinesterase Hydrolase C00005413 1 / 0
P35372 Mu-type opioid receptor Opioid receptor C00005373 0 / 0
P36888 Receptor-type tyrosine-protein kinase FLT3 Pdgfr C00005373 1 / 1
P02545 Prelamin-A/C Unclassified protein C00005373 11 / 10
O75164 Lysine-specific demethylase 4A Enzyme C00005374 0 / 0
P04062 Glucosylceramidase Enzyme C00005373 6 / 4
P09917 Arachidonate 5-lipoxygenase Oxidoreductase C00004635 0 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein C00005373 0 / 0
P34949 Mannose-6-phosphate isomerase Enzyme C00005373 1 / 1
P48147 Prolyl endopeptidase S9A C00005413 0 / 0
Q16637 Survival motor neuron protein Unclassified protein C00005373 4 / 1
Q9NPH5 NADPH oxidase 4 Enzyme C00005373 0 / 0
Q9P1W9 Serine/threonine-protein kinase pim-2 Pim C00005374 0 / 0
O00255 Menin Unclassified protein C00004635 2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00004635 1 / 2
Q13951 Core-binding factor subunit beta Unclassified protein C00005373 0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein C00005373 1 / 4
P33527 Multidrug resistance-associated protein 1 drugs C00005413 0 / 0

36 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1543 CYP1A1, AHH, AHRR, CP11, CYP1, P1-450, P450-C, P450DX cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) C00004635 C00005374 C00005413
1545 CYP1B1, CP1B, CYPIB1, GLC3A, P4501B1 cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) C00004635 C00005374 C00005413
196 AHR, bHLHe76 aryl hydrocarbon receptor C00004635 C00005413
3627 CXCL10, C7, IFI10, INP10, IP-10, SCYB10, crg-2, gIP-10, mob-1 chemokine (C-X-C motif) ligand 10 C00005413
5243 ABCB1, ABC20, CD243, CLCS, GP170, MDR1, P-GP, PGY1 ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) C00004635
2099 ESR1, ER, ESR, ESRA, ESTRR, Era, NR3A1 estrogen receptor 1 C00004635
2100 ESR2, ER-BETA, ESR-BETA, ESRB, ESTRB, Erb, NR3A2 estrogen receptor 2 (ER beta) C00004635
4846 NOS3, ECNOS, eNOS nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) C00004635
4973 OLR1, CLEC8A, LOX1, LOXIN, SCARE1, SLOX1 oxidized low density lipoprotein (lectin-like) receptor 1 C00004635
7031 TFF1, BCEI, D21S21, HP1.A, HPS2, pNR-2, pS2 trefoil factor 1 C00004635
177 AGER, RAGE advanced glycosylation end product-specific receptor C00005413
405 ARNT, HIF-1-beta, HIF-1beta, HIF1-beta, HIF1B, HIF1BETA, TANGO, bHLHe2 aryl hydrocarbon receptor nuclear translocator C00005413
581 BAX, BCL2L4 BCL2-associated X protein C00005413
596 BCL2, Bcl-2, PPP1R50 B-cell CLL/lymphoma 2 C00005413
836 CASP3, CPP32, CPP32B, SCA-1 caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) C00005413
847 CAT catalase (EC:1.11.1.6) C00005413
873 CBR1, CBR, SDR21C1, hCBR1 carbonyl reductase 1 (EC:1.1.1.189 1.1.1.197 1.1.1.184) C00005413
6347 CCL2, GDCF-2, HC11, HSMCR30, MCAF, MCP-1, MCP1, SCYA2, SMC-CF chemokine (C-C motif) ligand 2 C00005413
4363 ABCC1, ABC29, ABCC, GS-X, MRP, MRP1 ATP-binding cassette, sub-family C (CFTR/MRP), member 1 C00004635
1956 EGFR, ERBB, ERBB1, HER1, PIG61, mENA epidermal growth factor receptor (EC:2.7.10.1) C00005413
2936 GSR glutathione reductase (EC:1.8.1.7) C00005413
3458 IFNG, IFG, IFI interferon, gamma C00005413
3480 IGF1R, CD221, IGFIR, IGFR, JTK13 insulin-like growth factor 1 receptor (EC:2.7.10.1) C00005413
3553 IL1B, IL-1, IL1-BETA, IL1F2 interleukin 1, beta C00005413
3569 IL6, BSF2, HGF, HSF, IFNB2, IL-6 interleukin 6 (interferon, beta 2) C00005413
3576 IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1 interleukin 8 C00005413
3667 IRS1, HIRS-1 insulin receptor substrate 1 C00005413
3725 JUN, AP-1, AP1, c-Jun jun proto-oncogene C00005413
5594 MAPK1, ERK, ERK2, ERT1, MAPK2, P42MAPK, PRKM1, PRKM2, p38, p40, p41, p41mapk mitogen-activated protein kinase 1 (EC:2.7.11.24) C00005413
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) C00005413
4792 NFKBIA, IKBA, MAD-3, NFKBI nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha C00005413
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) C00005413
5970 RELA, NFKB3, p65 v-rel avian reticuloendotheliosis viral oncogene homolog A C00005413
7039 TGFA, TFGA transforming growth factor, alpha C00005413
7124 TNF, DIF, TNF-alpha, TNFA, TNFSF2 tumor necrosis factor C00005413
7422 VEGFA, MVCD1, VEGF, VPF vascular endothelial growth factor A C00005413

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (57)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#614490 Blood group, junior system; jr Q9UNQ0
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#606595 Charcot-marie-tooth disease, axonal, type 2f; cmt2f P04792
#602579 Congenital disorder of glycosylation, type ib; cdg1b P34949
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#615363 Estrogen resistance; estrr P03372
#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
#137750 Glaucoma 1, open angle, a; glc1a Q16678
#231300 Glaucoma 3, primary congenital, a; glc3a Q16678
#137760 Glaucoma, primary open angle; poag Q16678
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#146300 Hypophosphatasia, adult P05186
#241510 Hypophosphatasia, childhood P05186
#241500 Hypophosphatasia, infantile P05186
#601626 Leukemia, acute myeloid; aml P36888
#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
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#608634 Neuronopathy, distal hereditary motor, type iib; hmn2b P04792
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#614674 Periodic fever, menstrual cycle-dependent P08908
#604229 Peters anomaly Q16678
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#275210 Restrictive dermopathy, lethal P02545
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679
#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
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0
#278300 Xanthinuria, type i P47989
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253
#112100 Yt blood group antigen P22303

KEGG DISEASE (51)

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)
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)
H00026 Endometrial Cancer P03372 (marker)
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)
H00856 Distal hereditary motor neuropathies (dHMN) P04792 (related)
H00213 Hypophosphatasia P05186 (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)
H00023 Testicular cancer P10696 (marker)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)
H00032 Thyroid cancer P27487 (marker)
H00118 Congenital disorders of glycosylation (CDG) type I P34949 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00003 Acute myeloid leukemia (AML) P36888 (related)
Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00192 Xanthinuria P47989 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
H00612 Primary open angle glaucoma Q16678 (related)
H01075 Peters anomaly Q16678 (related)
H01159 Anterior segment dysgenesis (ASD) Q16678 (related)
H01203 Primary congenital glaucoma (PCG) Q16678 (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)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)

Diseases related to CTD interactions

9 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D010146 Pain C00005374
D001424 Bacterial Infections C00005413
D003092 Colitis C00005413
D004409 Dyskinesia, Drug-Induced C00005413
D015212 Inflammatory Bowel Diseases C00005413
D007674 Kidney Diseases C00005413
D028361 Mitochondrial Diseases C00005413
D010243 Paralysis C00005413
D013276 Stomach Ulcer C00005413