PCIDB

KNApSAcK Metabolite C00002264

Metabolite

KNApSAcK Entry

id C00002264
Name Solasodine
CAS RN 126-17-0
Standard InChI InChI=1S/C27H43NO2/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/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H43NO2/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/h5,16-17,19-24,28-29H,6-15H2,1-4H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL518252
By standard InChI Main Layer CHEMBL372484 CHEMBL518252 CHEMBL514596 CHEMBL1485302 CHEMBL1515688 CHEMBL1741560 CHEMBL1964743

KEGG

By LinkDB C10822

CTD

By CAS RN C012037

Human Protein / Gene in interaction

12 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 CHEMBL372484 CHEMBL829736 (1)
1 / 1
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1485302 CHEMBL1741560 CHEMBL1741321 (2)
1 / 0
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL518252 CHEMBL1738132 (1)
7 / 44
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1485302 CHEMBL1741560 CHEMBL1741325 (2)
0 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1515688 CHEMBL1614458 (1)
0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor CHEMBL372484 CHEMBL839610 (1)
1 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1515688 CHEMBL1613808 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1485302 CHEMBL1741560 CHEMBL1741322 (2)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1485302 CHEMBL1741560 CHEMBL1741323 (2)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1485302 CHEMBL1741560 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (2)
0 / 1
O00255 Menin Unclassified protein CHEMBL1515688 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1515688 CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614373 Amyotrophic lateral sclerosis 16, juvenile; als16 Q99720
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#302960 Chondrodysplasia punctata 2, x-linked dominant; cdpx2 Q15125
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#133239 Esophageal cancer P04637
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#260500 Papilloma of choroid plexus; cpp P04637
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (46)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H01194 X-linked chondrodysplasia punctata Q15125 (related)