PCIDB

KNApSAcK Metabolite C00004694

Metabolite

KNApSAcK Entry

id C00004694
Name Centaureidin / Desmethoxycentaureidine / Quercetagetin 3,4',6-trimethyl ether / 5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone / 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS RN 17313-52-9
Standard InChI InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
Standard InChI (Main Layer) InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL77552
By standard InChI Main Layer CHEMBL77552

KEGG

By LinkDB

CTD

By CAS RN C083161

Species

Summary

Plant class

class name count
asterids 25
rosids 1
eudicotyledons 1

Family

family name count
Asteraceae 25
Betulaceae 1
Crassulaceae 1

List (27)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Achillea atrata 282721 Asteraceae asterids Viridiplantae
Achillea clavennae 282726 Asteraceae asterids Viridiplantae
Achillea multifida 282751 Asteraceae asterids Viridiplantae
Aeonium spp. 22994 Crassulaceae eudicotyledons Viridiplantae
Ajania fruticulosa 99024 Asteraceae asterids Viridiplantae
Alnus glutinosa 3517 Betulaceae rosids Viridiplantae
Ambrosia chamissonis 4211 Asteraceae asterids Viridiplantae
Anthemis tinctoria 99028 Asteraceae asterids Viridiplantae
Artemisia abrotanum 86306 Asteraceae asterids Viridiplantae
Artemisia barrelieri 72335 Asteraceae asterids Viridiplantae
Asteriscus sericeus 41614 Asteraceae asterids Viridiplantae
Baccharis salicina 41487 Asteraceae asterids Viridiplantae
Baccharis sarothroides 41487 Asteraceae asterids Viridiplantae
Bahia xylopoda 41489 Asteraceae asterids Viridiplantae
Centaurea bracteata Scop. 41503 Asteraceae asterids Viridiplantae
Centaurea jacea 351340 Asteraceae asterids Viridiplantae
Chrysanthemum cinerariifolium 118510 Asteraceae asterids Viridiplantae
Eriophyllum confertiflorum 149423 Asteraceae asterids Viridiplantae
Eupatorium buniifolium 13516 Asteraceae asterids Viridiplantae
Grindelia robusta 1114741 Asteraceae asterids Viridiplantae
Grindelia tarapacana 1114766 Asteraceae asterids Viridiplantae
Iva frutescens 114189 Asteraceae asterids Viridiplantae
Pluchea sagittalis 175519 Asteraceae asterids Viridiplantae
Polymnia fruticosa 183069 Asteraceae asterids Viridiplantae
Stevia berlandieri 558448 Asteraceae asterids Viridiplantae
Tanacetum microphyllum 127997 Asteraceae asterids Viridiplantae
Tanacetum parthenium 127999 Asteraceae asterids Viridiplantae

Human Protein / Gene in interaction

24 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL77552 CHEMBL2114784 (1)
1 / 1
P39748 Flap endonuclease 1 Enzyme CHEMBL77552 CHEMBL1794486 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL77552 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL77552 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL77552 CHEMBL2114788 (1) CHEMBL2114931 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL77552 CHEMBL1794569 (1)
1 / 1
P51843 Nuclear receptor subfamily 0 group B member 1 Nuclear hormone receptor subfamily 0 group B member 1 CHEMBL77552 CHEMBL2354292 (1)
2 / 2
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL77552 CHEMBL2354311 (1)
1 / 0
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL77552 CHEMBL818984 (1)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL77552 CHEMBL818984 (1)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL77552 CHEMBL818984 (1)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL77552 CHEMBL818984 (1)
2 / 1
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL77552 CHEMBL2114738 (1)
0 / 0
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL77552 CHEMBL818984 (1)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL77552 CHEMBL818984 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#300018 46,xy sex reversal 2; srxy2 P51843
#300200 Adrenal hypoplasia, congenital; ahc P51843
#114500 Colorectal cancer; crc P84022
#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
#137800 Glioma susceptibility 1; glm1 O75874
#612438 Leukodystrophy, hypomyelinating, 6; hld6 P04350
#611603 Lissencephaly 3; lis3 Q71U36
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#613112 Macrothrombocytopenia, autosomal dominant, tubb1-related Q9H4B7
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (6)

KEGG disease name UniProt
H00552 Glycerol kinase deficiency (GKD) P51843 (related)
H00607 46,XY disorders of sex development (Disorders of gonadal development) P51843 (related)
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)