PCIDB

KNApSAcK Metabolite C00002553

Metabolite

KNApSAcK Entry

id C00002553
Name Ononin / Formononetin 7-O-glucoside
CAS RN 486-62-4
Standard InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17?,19-,20+,21?,22-/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL465980

KEGG

By LinkDB C10509

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 26

Family

family name count
Fabaceae 26

List (26)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Baptisia spp. 49796 Fabaceae rosids Viridiplantae
Cicer anatolicum 242878 Fabaceae rosids Viridiplantae
Cicer arietinum 3827 Fabaceae rosids Viridiplantae
Cicer bijugum 90899 Fabaceae rosids Viridiplantae
Cicer canariensis 3826 Fabaceae rosids Viridiplantae
Cicer chorassanicum 107682 Fabaceae rosids Viridiplantae
Cicer cuneatum 92720 Fabaceae rosids Viridiplantae
Cicer echinospermum 90897 Fabaceae rosids Viridiplantae
Cicer judicum 3826 Fabaceae rosids Viridiplantae
Cicer macracanthum 200949 Fabaceae rosids Viridiplantae
Cicer microphyllum 224826 Fabaceae rosids Viridiplantae
Cicer nuristanicum 242870 Fabaceae rosids Viridiplantae
Cicer oxyodon 242871 Fabaceae rosids Viridiplantae
Cicer pinnatifidum 47088 Fabaceae rosids Viridiplantae
Cicer reticulatum 90898 Fabaceae rosids Viridiplantae
Cicer yamashitae 92718 Fabaceae rosids Viridiplantae
Derris scandens 1225699 Fabaceae rosids Viridiplantae
Glycyrrhiza glabra 49827 Fabaceae rosids Viridiplantae
Glycyrrhiza pallidiflora 74859 Fabaceae rosids Viridiplantae
Medicago truncatula 3880 Fabaceae rosids Viridiplantae
Ononis spinosa 58890 Fabaceae rosids Viridiplantae
Piptanthus nepalensis 70606 Fabaceae rosids Viridiplantae
Sophora substrata 3896 Fabaceae rosids Viridiplantae
Thermopsis spp. 49852 Fabaceae rosids Viridiplantae
Trifolium montanum 74522 Fabaceae rosids Viridiplantae
Trifolium spp. 3898 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

11 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL465980 CHEMBL1738132 (2) CHEMBL2114753 (1)
7 / 44
P05091 Aldehyde dehydrogenase, mitochondrial Oxidoreductase CHEMBL465980 CHEMBL641141 (1)
1 / 1
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL465980 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL465980 CHEMBL2114807 (2)
4 / 2
P15121 Aldose reductase Enzyme CHEMBL465980 CHEMBL1942675 (1)
0 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL465980 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL465980 CHEMBL1738588 (2) CHEMBL1738317 (2)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL465980 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL465980 CHEMBL1738184 (2)
0 / 0
P27338 Amine oxidase [flavin-containing] B Oxidoreductase CHEMBL465980 CHEMBL731146 (1)
0 / 0
P21397 Amine oxidase [flavin-containing] A Oxidoreductase CHEMBL465980 CHEMBL731146 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#610251 Alcohol sensitivity, acute P05091
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#300615 Brunner syndrome P21397
#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 (40)

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)
H01071 Acute alcohol sensitivity P05091 (related)
H00548 Brunner syndrome P21397 (related)