Species

KNApSAcK Entry

Organism name Chenopodium botrys
Genus Chenopodium
Family Chenopodiaceae
Kingdom Plantae

NCBI taxonomy

Entry

Linked NCBI taxonomy name Dysphania botrys
Linked NCBI taxonomy ID 240045
Linked level species

Family

Family in NCBI taxonomy Amaranthaceae
ID 3563

Kingdom (Superkingdom)

Kingdom (Superkingdom) in NCBI taxonomy Viridiplantae
ID 33090

Plant class

Plant class eudicotyledons
ID 71240

Metabolite list (18)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
KCF-S
cluster
phytochemical
cluster
figure
C00013596 External link 512 Sinensetin
/ Pedalitin permethyl ether
/ 5,6,7,3',4'-Pentamethoxyflavone
/ 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
CHEMBL226507
C059295
7 / 6 / 7 3 / 0 No. 8 No. 15
C00012770 External link 512 [1S-(1alpha,2beta,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,2,8-naphthalenetriol
No. 351
C00012773 External link 512 Pigmol
/ Pygmol
/ [1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol
No. 351
C00012769 External link 512 Chenopotetraol
/ [1S-(1alpha,2alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,2,8-naphthalenetriol
No. 351
C00012783 External link 512 beta-Chenopodiol
/ 4(14)-Eudesmene-6a,11-diol
/ [1R-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-1-hydroxy-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
No. 524 No. 38
C00012796 External link 512 Chenopotriol
/ [1R-(1alpha,2beta,4abeta,7alpha,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
No. 524 No. 38
C00012777 External link 512 alpha-Chenopodiol
/ [1R-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-octahydro-1-hydroxy-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
No. 524 No. 38
C00012797 External link 512 3-epi-Chenopotriol
/ [1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
No. 524 No. 38
C00012793 External link 512 Isochenopotriol
/ [1S-(1alpha,2beta,4abeta,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl-1,7-naphthalenediol
No. 1297
C00012699 External link 512 [4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
No. 3141
C00012784 External link 512 [1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
No. 3141
C00012698 External link 512 [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
No. 3519
C00020405 External link 512 Pleocarpenene
No. 3823
C00020406 External link 512 11-Acetoxy-10(14)-guaien-4alpha-ol
No. 3823
C00012843 External link 512 Chenopodienolone
/ (6R-cis)-6,7,8,8a-Tetrahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
No. 7570
C00012735 External link 512 [1S-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)-1-naphthalenol acetate
No. 7801
C00012774 External link 512 [1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
No. 7931
C00011061 External link 512 gamma-Fenchene
/ 2,5,5-trimethylbicyclo[2.2.1]hept-2-ene
No. 7992

Human Protein / Gene in interactions

7 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P04798 Cytochrome P450 1A1 Cytochrome P450 1A1 C00013596 0 / 0
P08183 Multidrug resistance protein 1 drug C00013596 1 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00013596 0 / 0
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette C00013596 2 / 0
Q9UBT6 DNA polymerase kappa Enzyme C00013596 0 / 0
O00255 Menin Unclassified protein C00013596 2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00013596 1 / 2

3 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1543 CYP1A1, AHH, AHRR, CP11, CYP1, P1-450, P450-C, P450DX cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) C00013596
1544 CYP1A2, CP12, P3-450, P450(PA) cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) C00013596
1545 CYP1B1, CP1B, CYPIB1, GLC3A, P4501B1 cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) C00013596

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#614490 Blood group, junior system; jr Q9UNQ0
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#612244 Inflammatory bowel disease 13; ibd13 P08183
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0

KEGG DISEASE (7)

KEGG name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)