PCIDB

KNApSAcK Metabolite C00003326

Metabolite

KNApSAcK Entry

id C00003326
Name Mexicanin I
CAS RN 5945-41-5
Standard InChI InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13-,15+/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 495

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL338474 CHEMBL354946 CHEMBL486996 CHEMBL1728820 CHEMBL1911137

KEGG

By LinkDB C09504

CTD

By CAS RN

Human Protein / Gene in interaction

37 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16637 Survival motor neuron protein Unclassified protein CHEMBL338474 CHEMBL1613842 (1)
4 / 2
P17861 X-box-binding protein 1 Unclassified protein CHEMBL338474 CHEMBL1738682 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL338474 CHEMBL1728820 CHEMBL2114784 (2)
1 / 1
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL338474 CHEMBL1728820 CHEMBL1794499 (3)
2 / 0
P06746 DNA polymerase beta Enzyme CHEMBL338474 CHEMBL1614079 (1)
0 / 0
P04062 Glucosylceramidase Enzyme CHEMBL338474 CHEMBL1613818 (1)
6 / 4
Q9Y5X4 Photoreceptor-specific nuclear receptor NR2E3 CHEMBL338474 CHEMBL1728820 CHEMBL2114728 (2)
2 / 2
P30556 Type-1 angiotensin II receptor Angiotensin receptor CHEMBL338474 CHEMBL1614336 (1)
1 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL338474 CHEMBL1728820 CHEMBL1794311 (3)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL338474 CHEMBL1614458 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL338474 CHEMBL1738606 (1)
0 / 0
P42858 Huntingtin Unclassified protein CHEMBL338474 CHEMBL1613918 (1)
1 / 1
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL338474 CHEMBL1728820 CHEMBL1794584 (2)
2 / 0
O75496 Geminin Unclassified protein CHEMBL338474 CHEMBL1728820 CHEMBL2114843 (1) CHEMBL2114780 (2)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL338474 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL1728820 CHEMBL2114807 (1)
4 / 2
Q9Y2T6 G-protein coupled receptor 55 Lysophosphatidylinositol receptor CHEMBL338474 CHEMBL1614165 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL338474 CHEMBL1728820 CHEMBL2114788 (2) CHEMBL2114931 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL338474 CHEMBL486996 CHEMBL828644 (2) CHEMBL861583 (2)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL338474 CHEMBL1728820 CHEMBL1794569 (2)
1 / 1
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL338474 CHEMBL1794401 (1)
0 / 0
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL338474 CHEMBL1728820 CHEMBL1963863 (2)
0 / 0
P06280 Alpha-galactosidase A Enzyme CHEMBL338474 CHEMBL1614217 (1)
1 / 1
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL338474 CHEMBL1614521 (1)
0 / 0
Q00987 E3 ubiquitin-protein ligase Mdm2 Other nuclear protein CHEMBL338474 CHEMBL1613898 (1)
1 / 5
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL338474 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL338474 CHEMBL1738588 (1) CHEMBL2114870 (1)
CHEMBL2114872 (1) CHEMBL2114877 (1)
CHEMBL2114827 (1) CHEMBL2114907 (1)
CHEMBL2114909 (1) CHEMBL2114929 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL338474 CHEMBL1728820 CHEMBL1794483 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL338474 CHEMBL1614250 (2) CHEMBL1614421 (2)
CHEMBL1614502 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL338474 CHEMBL1728820 CHEMBL1738184 (2)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL338474 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL338474 CHEMBL1614364 (1)
1 / 1
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL338474 CHEMBL1728820 CHEMBL2354311 (2)
1 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL1728820 CHEMBL1963966 (1)
0 / 0
Q00653 Nuclear factor NF-kappa-B p100 subunit Transcription Factor CHEMBL338474 CHEMBL486996 CHEMBL828644 (2)
0 / 0
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor CHEMBL338474 CHEMBL486996 CHEMBL828644 (2)
0 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1728820 CHEMBL2114913 (1)
0 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (36)

OMIM preferred title UniProt
#614401 Accelerated tumor formation, susceptibility to; actfs Q00987
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#114500 Colorectal cancer; crc P84022
#268100 Enhanced s-cone syndrome; escs Q9Y5X4
#301500 Fabry disease P06280
#600274 Frontotemporal dementia; ftd P10636
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#137800 Glioma susceptibility 1; glm1 O75874
#143100 Huntington disease; hd P42858
#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
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#267430 Renal tubular dysgenesis; rtd P30556
#611131 Retinitis pigmentosa 37; rp37 Q9Y5X4
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#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 (29)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00125 Fabry disease P06280 (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)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (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)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
Q9NUW8 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)
H00527 Retinitis pigmentosa (RP) Q9Y5X4 (related)
H00805 Vitreoretinal degeneration Q9Y5X4 (related)