KCF-S cluster No. 704 (12 metabolites)

Corresponding Phytochemical cluster No. 51


Plant Species


Cumulative plant class count

class name count
rosids 24

Cumulative family count

class name count
Simaroubaceae 24

Metabolite list (12)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
figure
C00003696 External link 512 Ailanthinone
CHEMBL487194
CHEMBL1980182
3 / 2 / 3
C00003705 External link 512 Castelanone
CHEMBL487286
C024968
C00003710 External link 512 Glaucarubin
CHEMBL602805
CHEMBL1997250
CHEMBL2106871
D005900
C00003711 External link 512 Glaucarubinone
CHEMBL458347
CHEMBL1728992
C015235
10 / 7 / 8
C00003717 External link 512 Isobrucein A
/ isobruceine A
CHEMBL464489
CHEMBL1979791
C00003718 External link 512 Isobrucein B
/ isobruceine B
CHEMBL475082
C076339
C00003725 External link 512 Quassimarin
C013234
C00003731 External link 512 Simalikilactone D
CHEMBL480882
CHEMBL1979639
C024970
1 / 0 / 0
C00003732 External link 512 Soularubinone
CHEMBL486998
C024969
C00003735 External link 512 Undulatone
CHEMBL554759
CHEMBL2006033
C00040995 External link 512 Holacanthone
CHEMBL519243
CHEMBL458908
1 / 0 / 0
C00043795 External link 512 Orinocinolide
/ (+)-Orinocinolide
CHEMBL480688
1 / 0 / 0

Human Protein / Gene in interactions

11 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P05412 Transcription factor AP-1 Transcription Factor C00003696 C00003711 C00040995 0 / 0
O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha Other serine/threonine protein kinase C00003696 C00003711 1 / 1
P20701 Integrin alpha-L Membrane receptor C00003731 C00043795 0 / 0
P40763 Signal transducer and activator of transcription 3 Transcription Factor C00003696 C00003711 1 / 2
Q99700 Ataxin-2 Unclassified protein C00003711 1 / 1
O75496 Geminin Unclassified protein C00003711 0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein C00003711 0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein C00003711 2 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme C00003711 1 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein C00003711 0 / 3
Q06710 Paired box protein Pax-8 Unclassified protein C00003711 1 / 2

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#613630 Cocoon syndrome O15111
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 O75874
#147060 Hyper-ige recurrent infection syndrome, autosomal dominant P40763
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#183090 Spinocerebellar ataxia 2; sca2 Q99700

KEGG DISEASE (8)

KEGG name UniProt
H00882 Cocoon syndrome O15111 (related)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
Q06710 (related)
H00016 Oral cancer P40763 (related)
H00107 Other well-defined immunodeficiency syndromes P40763 (related)
H00032 Thyroid cancer Q06710 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)