PCIDB

KNApSAcK Metabolite C00005401

Metabolite

KNApSAcK Entry

id C00005401
Name Quercetin 3-robinoside / Quercetin 3-O-robinoside / Quercetin 3-O-robinobioside / Quercetin 3-O-rhamnosyl-(1->6)-galactoside
CAS RN 52525-35-6
Standard InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8?,15?,17-,18-,20-,21?,22?,23?,26+,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL32579 CHEMBL310754 CHEMBL182108 CHEMBL226335 CHEMBL502782 CHEMBL1436093 CHEMBL1532989

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

25 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P33527 Multidrug resistance-associated protein 1 drugs CHEMBL226335 CHEMBL2045961 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL226335 CHEMBL1014033 (1)
0 / 3
P06746 DNA polymerase beta Enzyme CHEMBL226335 CHEMBL1614079 (1)
0 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL226335 CHEMBL1614076 (1)
1 / 1
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase CHEMBL226335 CHEMBL1023248 (1)
1 / 1
P18825 Alpha-2C adrenergic receptor Adrenergic receptor CHEMBL226335 CHEMBL1120976 (1)
0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL226335 CHEMBL1614166 (1) CHEMBL1738096 (1)
CHEMBL1738622 (1)
1 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL226335 CHEMBL1014691 (1)
0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor CHEMBL226335 CHEMBL1120977 (1)
0 / 0
P27487 Dipeptidyl peptidase 4 S9B CHEMBL502782 CHEMBL974554 (1)
0 / 1
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1532989 CHEMBL1794467 (1)
0 / 0
P14679 Tyrosinase Oxidoreductase CHEMBL226335 CHEMBL814346 (1)
4 / 2
P06276 Cholinesterase Hydrolase CHEMBL226335 CHEMBL1045780 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL226335 CHEMBL1614521 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1436093 CHEMBL1614227 (1)
3 / 3
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette CHEMBL226335 CHEMBL2045959 (1) CHEMBL2045960 (1)
2 / 0
P03372 Estrogen receptor NR3A1 CHEMBL226335 CHEMBL999944 (1) CHEMBL1941568 (1)
CHEMBL1941569 (1)
1 / 1
P22303 Acetylcholinesterase Hydrolase CHEMBL226335 CHEMBL1045781 (1)
1 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL32579 CHEMBL226335 CHEMBL972070 (1) CHEMBL1614108 (1)
CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL32579 CHEMBL226335 CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL32579 CHEMBL226335 CHEMBL1614421 (2)
4 / 3
P48147 Prolyl endopeptidase S9A CHEMBL502782 CHEMBL974553 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL32579 CHEMBL226335 CHEMBL1532989 CHEMBL1794536 (3)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL32579 CHEMBL226335 CHEMBL1532989 CHEMBL1613914 (3)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL226335 CHEMBL1738442 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

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
#615363 Estrogen resistance; estrr P03372
#600274 Frontotemporal dementia; ftd P10636
#232300 Glycogen storage disease ii P10253
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0
#278300 Xanthinuria, type i P47989
#112100 Yt blood group antigen P22303

KEGG DISEASE (16)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
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)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)
H00032 Thyroid cancer P27487 (marker)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00192 Xanthinuria P47989 (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)