PCIDB

KNApSAcK Metabolite C00002267

Metabolite

KNApSAcK Entry

id C00002267
Name Tomatidine
CAS RN 77-59-8
Standard InChI InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 171

Link

ChEMBL

By standard InChI CHEMBL2165711
By standard InChI Main Layer CHEMBL365417 CHEMBL1476096 CHEMBL1622974 CHEMBL1976775 CHEMBL1998601 CHEMBL2165711

KEGG

By LinkDB C10826

CTD

By CAS RN C003677

Human Protein / Gene in interaction

10 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q15125 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Enzyme CHEMBL365417 CHEMBL829736 (1)
1 / 1
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1476096 CHEMBL1741321 (1)
1 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1476096 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1476096 CHEMBL1614544 (1)
11 / 10
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1476096 CHEMBL1741325 (1)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1476096 CHEMBL1614458 (1)
0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor CHEMBL365417 CHEMBL839610 (1)
1 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1476096 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1476096 CHEMBL1613777 (1) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1476096 CHEMBL1741324 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#614373 Amyotrophic lateral sclerosis 16, juvenile; als16 Q99720
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#302960 Chondrodysplasia punctata 2, x-linked dominant; cdpx2 Q15125
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545

KEGG DISEASE (14)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H01194 X-linked chondrodysplasia punctata Q15125 (related)