PCIDB

KNApSAcK Metabolite C00005169

Metabolite

KNApSAcK Entry

id C00005169
Name Nicotiflorin / Nicotifloroside / Kaempferol 3-O-rutinoside / Kaempferol 3-O-(alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside / (-)-Kaempferol 3-O-(alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranoside
CAS RN 17650-84-9
Standard InChI InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9?,15?,17-,18+,20-,21?,22?,23?,26+,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL431610 CHEMBL79790 CHEMBL255020 CHEMBL501550 CHEMBL498879 CHEMBL1419228 CHEMBL1875691

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 23
rosids 19
Euphyllophyta 3
Spermatophyta 2
eudicotyledons 2
Liliopsida 2
Magnoliophyta 1

Family (Top 10)

family name count
Asteraceae 9
Fabaceae 7
Euphorbiaceae 4
Solanaceae 3
Oleaceae 2
Urticaceae 2
Rubiaceae 2
Papaveraceae 1
Limnanthaceae 1
Cupressaceae 1

List (52)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Abies amabilis 97174 Pinaceae Spermatophyta Viridiplantae
Adiantum capillus-veneris 13818 Pteridaceae Euphyllophyta Viridiplantae
Alkanna orientalis 543563 Boraginaceae asterids Viridiplantae
Aristolochia kaempferi 158550 Aristolochiaceae Magnoliophyta Viridiplantae
Bauhinia candicans 72379 Fabaceae rosids Viridiplantae
Boehmeria holosericea 83905 Urticaceae rosids Viridiplantae
Boehmeria tricuspis 644073 Urticaceae rosids Viridiplantae
Bruguiera sexangula var.rhynchopetala 39983 Rhizophoraceae rosids Viridiplantae
Calystegia japonica 649339 Convolvulaceae asterids Viridiplantae
Camellia sinensis 4442 Theaceae asterids Viridiplantae
Capparis spinosa L. 65558 Capparaceae rosids Viridiplantae
Carthamus tinctorius 4222 Asteraceae asterids Viridiplantae
Cassia hirsuta 162906 Fabaceae rosids Viridiplantae
Cassia spp. 53851 Fabaceae rosids Viridiplantae
Centaurea hierapolitana 41503 Asteraceae asterids Viridiplantae
Cistus ladaniferus 69451 Cistaceae rosids Viridiplantae
Clibadium spp. 183010 Asteraceae asterids Viridiplantae
Clitoria ternata 43365 Fabaceae rosids Viridiplantae
Clitoria ternatea 43366 Fabaceae rosids Viridiplantae
Colubrina asiatica 106664 Rhamnaceae rosids Viridiplantae
Conyza filaginoides 41552 Asteraceae asterids Viridiplantae
Desmanthodium spp. 183021 Asteraceae asterids Viridiplantae
Equisetum silvaticum 3257 Equisetaceae Euphyllophyta Viridiplantae
Eucommia ulmoides Oliv. 4391 Eucommiaceae asterids Viridiplantae
Euphorbia geniculata 3977 Euphorbiaceae rosids Viridiplantae
Euphorbia larica 1031526 Euphorbiaceae rosids Viridiplantae
Euphorbia magalanta 3977 Euphorbiaceae rosids Viridiplantae
Euphorbia virgata 526204 Euphorbiaceae rosids Viridiplantae
Fraxinus oxycarba 38871 Oleaceae asterids Viridiplantae
Fumaria parviflora 200992 Papaveraceae eudicotyledons Viridiplantae
Juniperus communis var.depressa 13100 Cupressaceae Spermatophyta Viridiplantae
Leptarrhena pyrolifolia 23253 Saxifragaceae eudicotyledons Viridiplantae
Leucophysalis spp. 304108 Solanaceae asterids Viridiplantae
Limnanthes douglasii 28973 Limnanthaceae rosids Viridiplantae
Marrubium velutinum 41229 Lamiaceae asterids Viridiplantae
Montanoa tomentosa 167007 Asteraceae asterids Viridiplantae
Morinda citrifolia 43522 Rubiaceae asterids Viridiplantae
Nicotiana spp. 4085 Solanaceae asterids Viridiplantae
Nyctanthes arbortristis 41398 Oleaceae asterids Viridiplantae
Paesia anfractuosa 32098 Dennstaedtiaceae Euphyllophyta Viridiplantae
Pelargonium reniforme 59871 Geraniaceae rosids Viridiplantae
Physalis peruviana 126903 Solanaceae asterids Viridiplantae
Pitcairnia spp. 49526 Bromeliaceae Liliopsida Viridiplantae
Ruscus hypoglossum L. 191652 Asparagaceae Liliopsida Viridiplantae
Scorzonera divaricata 1205778 Asteraceae asterids Viridiplantae
Silphium perfoliatum L. 53588 Asteraceae asterids Viridiplantae
Solidago altissima 59294 Asteraceae asterids Viridiplantae
Sophora japonica 3897 Fabaceae rosids Viridiplantae
Spermacoce laevis Roxb. 35916 Rubiaceae asterids Viridiplantae
Strychnos spinosa 99302 Loganiaceae asterids Viridiplantae
Styphnolobium japonicum 3897 Fabaceae rosids Viridiplantae
Tordylium apulum 489417 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

22 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1419228 CHEMBL1738312 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1419228 CHEMBL2114784 (1)
1 / 1
P06746 DNA polymerase beta Enzyme CHEMBL1419228 CHEMBL1614079 (1)
0 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL1419228 CHEMBL1614076 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL1419228 CHEMBL1794585 (1)
0 / 0
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase CHEMBL501550 CHEMBL1023248 (1)
1 / 1
P07237 Protein disulfide-isomerase Enzyme CHEMBL1875691 CHEMBL1964080 (1) CHEMBL2114805 (1)
0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1419228 CHEMBL1614166 (1)
1 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL1875691 CHEMBL1794311 (1)
2 / 3
P39748 Flap endonuclease 1 Enzyme CHEMBL1419228 CHEMBL1794486 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1419228 CHEMBL2114780 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL1419228 CHEMBL1794569 (1)
1 / 1
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein CHEMBL1419228 CHEMBL1614280 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1419228 CHEMBL1875691 CHEMBL1794483 (2)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1419228 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1419228 CHEMBL1614466 (1) CHEMBL1614211 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1419228 CHEMBL1794536 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1419228 CHEMBL1613829 (1)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1419228 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1419228 CHEMBL1613933 (1)
1 / 6
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL1419228 CHEMBL2114738 (1)
0 / 0
Q14191 Werner syndrome ATP-dependent helicase Enzyme CHEMBL1419228 CHEMBL2114796 (1)
2 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc Q14191
#232300 Glycogen storage disease ii P10253
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473
#277700 Werner syndrome; wrn Q14191
#278300 Xanthinuria, type i P47989
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (12)

KEGG disease name UniProt
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00192 Xanthinuria P47989 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00296 Defects in RecQ helicases Q14191 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)