PCIDB

KNApSAcK Metabolite C00021120

Metabolite

KNApSAcK Entry

id C00021120
Name Balduilin
CAS RN 6895-47-2
Standard InChI InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15-,17+/m1/s1
Standard InChI (Main Layer) InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 470

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL312003 CHEMBL270297 CHEMBL486196 CHEMBL486997

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Asteraceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Balduina angustifolia 373172 Asteraceae asterids Viridiplantae
Balduina uniflora 128714 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)
P17861 X-box-binding protein 1 Unclassified protein CHEMBL486196 CHEMBL1738682 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL486196 CHEMBL2114784 (1)
1 / 1
P30556 Type-1 angiotensin II receptor Angiotensin receptor CHEMBL486196 CHEMBL1614336 (1)
1 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL486196 CHEMBL1794311 (1)
2 / 3
P42858 Huntingtin Unclassified protein CHEMBL486196 CHEMBL1613918 (1)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL486196 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL486196 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL486196 CHEMBL1613838 (1)
0 / 0
Q9Y2T6 G-protein coupled receptor 55 Lysophosphatidylinositol receptor CHEMBL486196 CHEMBL1614165 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL486196 CHEMBL2114788 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL486196 CHEMBL1794569 (1)
1 / 1
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL486196 CHEMBL1963863 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL486196 CHEMBL1614521 (1)
0 / 0
Q00987 E3 ubiquitin-protein ligase Mdm2 Other nuclear protein CHEMBL486196 CHEMBL1613898 (1)
1 / 5
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL486196 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL486196 CHEMBL1738588 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL486196 CHEMBL1794483 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL486196 CHEMBL1614250 (1) CHEMBL1614421 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL486196 CHEMBL1738184 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL486196 CHEMBL1738442 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL486196 CHEMBL2354311 (1)
1 / 0
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL486196 CHEMBL2354301 (1)
1 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (17)

OMIM preferred title UniProt
#614401 Accelerated tumor formation, susceptibility to; actfs Q00987
#114500 Colorectal cancer; crc P84022
#600274 Frontotemporal dementia; ftd P10636
#137800 Glioma susceptibility 1; glm1 O75874
#143100 Huntington disease; hd P42858
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#612371 Major affective disorder 7; mafd7 P17861
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#257220 Niemann-pick disease, type c1; npc1 O15118
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#267430 Renal tubular dysgenesis; rtd P30556
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (18)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00575 Renal tubular dysgenesis P30556 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00025 Penile cancer Q00987 (related)
H00028 Choriocarcinoma Q00987 (related)
H00036 Osteosarcoma Q00987 (related)
H00037 Alveolar rhabdomyosarcoma Q00987 (related)
H00042 Glioma Q00987 (related)
H00032 Thyroid cancer Q06710 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) Q06710 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)