PCIDB

KNApSAcK Metabolite C00002585

Metabolite

KNApSAcK Entry

id C00002585
Name Wedelolactone / 1,8,9-Trihydroxy-3-methoxycoumestan / 5,11,12-Trihydroxy-7-methoxycoumestan
CAS RN 524-12-9
Standard InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
Standard InChI (Main Layer) InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3

Cluster

Phytochemical cluster No. 17
KCF-S cluster No. 54

Link

ChEMBL

By standard InChI CHEMBL97453
By standard InChI Main Layer CHEMBL97453

KEGG

By LinkDB C10541

CTD

By CAS RN C051122

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Asteraceae 2

List (3)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eclipta alba 53719 Asteraceae asterids Viridiplantae
Ougeinia dalbergioides
Wedelia calendulacea 183097 Asteraceae asterids Viridiplantae

Human Protein / Gene in interaction

22 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P25963 NF-kappa-B inhibitor alpha Other cytosolic protein CHEMBL97453 CHEMBL2091592 (1) CHEMBL2091593 (1)
1 / 2
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL97453 CHEMBL618408 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL97453 CHEMBL1614554 (1) CHEMBL1613776 (2)
3 / 1
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL97453 CHEMBL2091594 (1)
0 / 0
P27361 Mitogen-activated protein kinase 3 Erk CHEMBL97453 CHEMBL2091594 (1)
0 / 0
O75828 Carbonyl reductase [NADPH] 3 Enzyme CHEMBL97453 CHEMBL1004501 (1) CHEMBL1004502 (1)
CHEMBL1004503 (1)
0 / 0
P54132 Bloom syndrome protein Enzyme CHEMBL97453 CHEMBL1614067 (2)
1 / 2
P11473 Vitamin D3 receptor NR1I1 CHEMBL97453 CHEMBL1794311 (1)
2 / 3
O14920 Inhibitor of nuclear factor kappa-B kinase subunit beta Other serine/threonine protein kinase CHEMBL97453 CHEMBL937053 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL97453 CHEMBL1738606 (1)
0 / 0
P16152 Carbonyl reductase [NADPH] 1 Enzyme CHEMBL97453 CHEMBL1004498 (1) CHEMBL1004499 (1)
CHEMBL1004500 (1) CHEMBL1004504 (1)
CHEMBL1004505 (2)
0 / 0
Q05397 Focal adhesion kinase 1 Fak CHEMBL97453 CHEMBL2089629 (1)
0 / 0
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL97453 CHEMBL1963893 (2)
0 / 0
O15111 Inhibitor of nuclear factor kappa-B kinase subunit alpha Other serine/threonine protein kinase CHEMBL97453 CHEMBL937054 (1)
1 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL97453 CHEMBL1614466 (1) CHEMBL1614211 (2)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL97453 CHEMBL1794536 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL97453 CHEMBL1613829 (2) CHEMBL1613928 (1)
CHEMBL1794433 (2)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL97453 CHEMBL1614364 (2)
1 / 1
O00255 Menin Unclassified protein CHEMBL97453 CHEMBL1614257 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL97453 CHEMBL1614257 (2)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL97453 CHEMBL1738090 (1) CHEMBL1613933 (1)
CHEMBL1737904 (1) CHEMBL1738444 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL97453 CHEMBL1738090 (1) CHEMBL1613933 (1)
CHEMBL1737904 (1) CHEMBL1738444 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#210900 Bloom syndrome; blm P54132
#613630 Cocoon syndrome O15111
#612132 Ectodermal dysplasia, anhidrotic, with t-cell immunodeficiency, autosomal dominant P25963
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (20)

KEGG disease 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)
H00882 Cocoon syndrome O15111 (related)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00007 Hodgkin lymphoma P25963 (related)
H00095 Ectodermal dysplasia associated immunodeficiency (EDA-ID) P25963 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)