PCIDB

KNApSAcK Metabolite C00010112

Metabolite

KNApSAcK Entry

id C00010112
Name Sissotrin / Astroside / Biochanin A 7-O-glucoside
CAS RN 5928-26-7
Standard InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16?,19-,20+,21?,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL557296 CHEMBL1405026

KEGG

By LinkDB C05376

CTD

By CAS RN

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1405026 CHEMBL1738132 (1)
7 / 44
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1405026 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL1405026 CHEMBL2114807 (1)
4 / 2
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1405026 CHEMBL2114788 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1405026 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1405026 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1405026 CHEMBL1738184 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (12)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#133239 Esophageal cancer P04637
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#257220 Niemann-pick disease, type c1; npc1 O15118
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#260500 Papilloma of choroid plexus; cpp P04637
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (38)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (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)
P38398 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
P38398 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
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)