PCIDB

KNApSAcK Metabolite C00000609

Metabolite

KNApSAcK Entry

id C00000609
Name (-)-Arctigenin
CAS RN 7770-78-7
Standard InChI InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 223

Link

ChEMBL

By standard InChI CHEMBL435734
By standard InChI Main Layer CHEMBL369142 CHEMBL435734 CHEMBL1966556

KEGG

By LinkDB C10545

CTD

By CAS RN C071942

Species

Summary

Plant class

class name count
asterids 53
rosids 6
Spermatophyta 4
eudicotyledons 2

Family (Top 10)

family name count
Asteraceae 39
Apocynaceae 7
Oleaceae 5
Thymelaeaceae 3
Polygonaceae 2
Rutaceae 2
Cupressaceae 2
Taxaceae 2
Apiaceae 1
Convolvulaceae 1

List (65)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arctium lappa 4217 Asteraceae asterids Viridiplantae
Arctium leiospermum 254670 Asteraceae asterids Viridiplantae
Arctium minus 143172 Asteraceae asterids Viridiplantae
Arctium tomentosum 4218 Asteraceae asterids Viridiplantae
Bupleurum salicifolium 199751 Apiaceae asterids Viridiplantae
Carduus micropterus ssp. perspinosus 92905 Asteraceae asterids Viridiplantae
Centaurea alexandrina 363412 Asteraceae asterids Viridiplantae
Centaurea americana 41506 Asteraceae asterids Viridiplantae
Centaurea bella 146595 Asteraceae asterids Viridiplantae
Centaurea calcitrapa 41511 Asteraceae asterids Viridiplantae
Centaurea cuneifolia 1048535 Asteraceae asterids Viridiplantae
Centaurea cyanus 41522 Asteraceae asterids Viridiplantae
Centaurea cynaroides 41503 Asteraceae asterids Viridiplantae
Centaurea dealbata 41526 Asteraceae asterids Viridiplantae
Centaurea dimorpha 41503 Asteraceae asterids Viridiplantae
Centaurea maculosa ssp. rhenana 41503 Asteraceae asterids Viridiplantae
Centaurea melitensis 41536 Asteraceae asterids Viridiplantae
Centaurea phrygia 910632 Asteraceae asterids Viridiplantae
Centaurea regia 41503 Asteraceae asterids Viridiplantae
Centaurea ruthenica 41503 Asteraceae asterids Viridiplantae
Centaurea scabiosa 145517 Asteraceae asterids Viridiplantae
Centaurea scoparia 41503 Asteraceae asterids Viridiplantae
Centaurea solstitialis 347529 Asteraceae asterids Viridiplantae
Centaurea sphaerocephala ssp. polyacantha 41503 Asteraceae asterids Viridiplantae
Cirsium canum 196709 Asteraceae asterids Viridiplantae
Cirsium vulgare 92907 Asteraceae asterids Viridiplantae
Cnicus benedictus 50282 Asteraceae asterids Viridiplantae
Cousinia hystrix 92909 Asteraceae asterids Viridiplantae
Cupressus lusitanica 103968 Cupressaceae Spermatophyta Viridiplantae
Cynara cardunculus 4265 Asteraceae asterids Viridiplantae
Daphne feddei 66679 Thymelaeaceae rosids Viridiplantae
Forsythia intermedia 55183 Oleaceae asterids Viridiplantae
Forsythia koreana 205692 Oleaceae asterids Viridiplantae
Forsythia ovata 205694 Oleaceae asterids Viridiplantae
Forsythia suspensa 126418 Oleaceae asterids Viridiplantae
Forsythia viridissima 205691 Oleaceae asterids Viridiplantae
Haplophyllum patavinum 452780 Rutaceae rosids Viridiplantae
Haplophyllum ptilostylum 266078 Rutaceae rosids Viridiplantae
Ipomoea cairica 129201 Convolvulaceae asterids Viridiplantae
Jurinea alata 41593 Asteraceae asterids Viridiplantae
Onopordum acanthium 92915 Asteraceae asterids Viridiplantae
Onopordum acaule 92914 Asteraceae asterids Viridiplantae
Onopordum alexandrinum 92914 Asteraceae asterids Viridiplantae
Onopordum illyricum 297478 Asteraceae asterids Viridiplantae
Polygala chinensis 4275 Polygalaceae rosids Viridiplantae
Polygonum orientale 467334 Polygonaceae eudicotyledons Viridiplantae
Rumex patientia 137229 Polygonaceae eudicotyledons Viridiplantae
Saussurea candicans 886941 Asteraceae asterids Viridiplantae
Saussurea gossypiphora 335950 Asteraceae asterids Viridiplantae
Saussurea hieracioides 238942 Asteraceae asterids Viridiplantae
Saussurea medusa 137893 Asteraceae asterids Viridiplantae
Serratula quinquefolia 305379 Asteraceae asterids Viridiplantae
Serratula radiata 41634 Asteraceae asterids Viridiplantae
Taiwania cryptomerioides Hayata 25613 Cupressaceae Spermatophyta Viridiplantae
Torreya jackii 147277 Taxaceae Spermatophyta Viridiplantae
Torreya nucifera 50189 Taxaceae Spermatophyta Viridiplantae
Trachelospermum asiaticum 276781 Apocynaceae asterids Viridiplantae
Trachelospermum asiaticum var. intermedium 69388 Apocynaceae asterids Viridiplantae
Trachelospermum axillare 429296 Apocynaceae asterids Viridiplantae
Trachelospermum foetidum 69388 Apocynaceae asterids Viridiplantae
Trachelospermum gracilipes 947960 Apocynaceae asterids Viridiplantae
Trachelospermum jasminoides 69389 Apocynaceae asterids Viridiplantae
Trachelospermum liukiuense 69388 Apocynaceae asterids Viridiplantae
Wikstroemia indica 714517 Thymelaeaceae rosids Viridiplantae
Wikstroemia viridiflora 142693 Thymelaeaceae rosids Viridiplantae

Human Protein / Gene in interaction

13 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL435734 CHEMBL1741321 (1)
1 / 0
Q02750 Dual specificity mitogen-activated protein kinase kinase 1 Ste7 CHEMBL435734 CHEMBL921092 (1)
1 / 1
Q99700 Ataxin-2 Unclassified protein CHEMBL369142 CHEMBL2114784 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL435734 CHEMBL1614027 (1) CHEMBL1741325 (1)
0 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL369142 CHEMBL1794584 (1)
2 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL369142 CHEMBL1613838 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL369142 CHEMBL2114788 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL435734 CHEMBL1613808 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL435734 CHEMBL1741322 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL369142 CHEMBL1614342 (1)
1 / 1
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL435734 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL435734 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL369142 CHEMBL1794483 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#615279 Cardiofaciocutaneous syndrome 3; cfc3 Q02750
#114500 Colorectal cancer; crc P84022
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#257220 Niemann-pick disease, type c1; npc1 O15118
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (6)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00523 Noonan syndrome and related disorders Q02750 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)