PCIDB

KNApSAcK Metabolite C00007194

Metabolite

KNApSAcK Entry

id C00007194
Name (+)-Episesamin
CAS RN 133-03-9
Standard InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20?/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 621

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL43469 CHEMBL252915 CHEMBL1572261 CHEMBL1591714 CHEMBL1708854 CHEMBL1904496 CHEMBL1968861

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

20 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL43469 CHEMBL1614110 (1)
1 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1591714 CHEMBL1613842 (1)
4 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL43469 CHEMBL1614027 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL252915 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL1591714 CHEMBL1613800 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1708854 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL252915 CHEMBL1904496 CHEMBL2114843 (2)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL43469 CHEMBL1708854 CHEMBL1904496 CHEMBL2114788 (3)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1708854 CHEMBL2114810 (1)
7 / 3
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL43469 CHEMBL252915 CHEMBL1708854 CHEMBL1904496 CHEMBL1794401 (4)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1591714 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1591714 CHEMBL1613808 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1591714 CHEMBL1614038 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1708854 CHEMBL1738588 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL43469 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1572261 CHEMBL1591714 CHEMBL1614108 (2) CHEMBL1613886 (2)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1708854 CHEMBL1904496 CHEMBL1794483 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1572261 CHEMBL1591714 CHEMBL1614421 (2) CHEMBL1614502 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL43469 CHEMBL1708854 CHEMBL1738184 (2)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL43469 CHEMBL252915 CHEMBL1708854 CHEMBL1904496 CHEMBL2354287 (4)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (24)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#114500 Colorectal cancer; crc P84022
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#600274 Frontotemporal dementia; ftd P10636
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#174800 Mccune-albright syndrome; mas P63092
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#166350 Osseous heteroplasia, progressive; poh P63092
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#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
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (15)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
Q13148 (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)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)