PCIDB

KNApSAcK Metabolite C00003845

Metabolite

KNApSAcK Entry

id C00003845
Name Eupatilin / 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS RN 22368-21-4
Standard InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
Standard InChI (Main Layer) InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL312750
By standard InChI Main Layer CHEMBL312750

KEGG

By LinkDB C10040

CTD

By CAS RN C045325

Species

Summary

Plant class

class name count
asterids 22
rosids 2
Embryophyta 1

Family

family name count
Asteraceae 16
Lamiaceae 6
Rutaceae 1
Monocleaceae 1
Fabaceae 1

List (25)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Artemisia giraldii 669123 Asteraceae asterids Viridiplantae
Artemisia ludoviciana var. mexicana 4219 Asteraceae asterids Viridiplantae
Artemisia mongolica 669133 Asteraceae asterids Viridiplantae
Artemisia nitida 1287616 Asteraceae asterids Viridiplantae
Artemisia oliveriana 4219 Asteraceae asterids Viridiplantae
Artemisia porrecta 1227638 Asteraceae asterids Viridiplantae
Artemisia umbelliformis 72355 Asteraceae asterids Viridiplantae
Artemisia verlotiorum 72356 Asteraceae asterids Viridiplantae
Baccharis gaudichaudiana 41487 Asteraceae asterids Viridiplantae
Baccharis gaudichaudiana DC 41487 Asteraceae asterids Viridiplantae
Chrysanthemum indicum 146995 Asteraceae asterids Viridiplantae
Citrus reticulata 85571 Rutaceae rosids Viridiplantae
Eriocephalus punctulatus 99049 Asteraceae asterids Viridiplantae
Eupatorium capillifolium 102771 Asteraceae asterids Viridiplantae
Eupatorium semiserratum 103755 Asteraceae asterids Viridiplantae
Inula britannica 119176 Asteraceae asterids Viridiplantae
Monoclea gottschei 56937 Monocleaceae Embryophyta Viridiplantae
Ononis vaginalis 798051 Fabaceae rosids Viridiplantae
Salvia cardiophylla 21880 Lamiaceae asterids Viridiplantae
Salvia palaestina 268920 Lamiaceae asterids Viridiplantae
Salvia sclarea 38869 Lamiaceae asterids Viridiplantae
Salvia tomentosa 1132405 Lamiaceae asterids Viridiplantae
Sideritis gomeraea 155247 Lamiaceae asterids Viridiplantae
Sideritis tomentosa 155231 Lamiaceae asterids Viridiplantae
Tanacetum polycephalum 944772 Asteraceae asterids Viridiplantae

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL312750 CHEMBL818984 (1) CHEMBL820476 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#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
#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

KEGG DISEASE (2)

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