PCIDB

KNApSAcK Metabolite C00004647

Metabolite

KNApSAcK Entry

id C00004647
Name Ayanin / 3,7,4'-Tri-O-methylquercetin / 5,3'-Dihydroxy-3,7,4'-trimethoxyflavone / 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS RN 572-32-7
Standard InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
Standard InChI (Main Layer) InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 3

Link

ChEMBL

By standard InChI CHEMBL74898
By standard InChI Main Layer CHEMBL74898

KEGG

By LinkDB C04444

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 23
rosids 4
Liliopsida 4

Family (Top 10)

family name count
Asteraceae 14
Zingiberaceae 3
Lamiaceae 2
Boraginaceae 2
Cunoniaceae 2
Escalloniaceae 1
Ericaceae 1
Hydrophyllaceae 1
Fabaceae 1
Orchidaceae 1

List (31)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aframomum giganteum 188478 Zingiberaceae Liliopsida Viridiplantae
Amomum koenigii 252851 Zingiberaceae Liliopsida Viridiplantae
Bahia glandulosa 41489 Asteraceae asterids Viridiplantae
Dendrobium densiflorum Lindl.ex.Wall. 37818 Orchidaceae Liliopsida Viridiplantae
Distemonanthus benthamianus 162759 Fabaceae rosids Viridiplantae
Encelia spp. 183025 Asteraceae asterids Viridiplantae
Eriodictyon trichocalyx 79351 Hydrophyllaceae asterids Viridiplantae
Escallonia spp. 23075 Escalloniaceae asterids Viridiplantae
Eucryphia lucida 3791 Cunoniaceae rosids Viridiplantae
Eucryphia milliganii 85203 Cunoniaceae rosids Viridiplantae
Eupatorium triplinerve 1090619 Asteraceae asterids Viridiplantae
Grindelia squarrosa 1114761 Asteraceae asterids Viridiplantae
Gutierrezia alamanii 71047 Asteraceae asterids Viridiplantae
Haplopappus chrysanthemifolius 71051 Asteraceae asterids Viridiplantae
Haplopappus hirtellus 71051 Asteraceae asterids Viridiplantae
Heliotropium chenopodiaceum var. ericoideum 21621 Boraginaceae asterids Viridiplantae
Heliotropium pycnophyllum 244104 Boraginaceae asterids Viridiplantae
Heterotheca inuloides 71056 Asteraceae asterids Viridiplantae
Hyptis brevipes 204123 Lamiaceae asterids Viridiplantae
Isocoma spp. 71058 Asteraceae asterids Viridiplantae
Kaempferia parviflora 97751 Zingiberaceae Liliopsida Viridiplantae
Lantana camara 126435 Verbenaceae asterids Viridiplantae
Melicope semecarpifolia 697038 Rutaceae rosids Viridiplantae
Ozothamnus scutellifolius 1284902 Asteraceae asterids Viridiplantae
Petunia surfinia 4101 Solanaceae asterids Viridiplantae
Pterocaulon virgatum 81513 Asteraceae asterids Viridiplantae
Rhododendron mucronatum 401655 Ericaceae asterids Viridiplantae
Salvia glutinosa 49211 Lamiaceae asterids Viridiplantae
Siegesbeckia jorullensis 185190 Asteraceae asterids Viridiplantae
Siegesbeckia orientalis 185191 Asteraceae asterids Viridiplantae
Stevia subpubescens 558513 Asteraceae asterids Viridiplantae

Human Protein / Gene in interaction

18 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P33527 Multidrug resistance-associated protein 1 drugs CHEMBL74898 CHEMBL1687517 (1)
0 / 0
P08183 Multidrug resistance protein 1 drug CHEMBL74898 CHEMBL1687396 (1)
1 / 0
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette CHEMBL74898 CHEMBL1687393 (1) CHEMBL1687394 (1)
CHEMBL1694230 (1)
2 / 0
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL74898 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#614490 Blood group, junior system; jr Q9UNQ0
#614039 Cortical dysplasia, complex, with other brain malformations 1; cdcbm1 Q13509
#128101 Dystonia 4, torsion, autosomal dominant; dyt4 P04350
#600638 Fibrosis of extraocular muscles, congenital, 3a, with or without extraocular involvement; cfeom3a Q13509
#612244 Inflammatory bowel disease 13; ibd13 P08183
#612438 Leukodystrophy, hypomyelinating, 6; hld6 P04350
#611603 Lissencephaly 3; lis3 Q71U36
#613112 Macrothrombocytopenia, autosomal dominant, tubb1-related Q9H4B7
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0

KEGG DISEASE (2)

KEGG disease name UniProt
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)