PCIDB

KNApSAcK Metabolite C00002507

Metabolite

KNApSAcK Entry

id C00002507
Name Castanin / Afromosin / Afrormosin / 7-Hydroxy-6,4'-dimethoxyisoflavone
CAS RN 550-79-8
Standard InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
Standard InChI (Main Layer) InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 35

Link

ChEMBL

By standard InChI CHEMBL464404
By standard InChI Main Layer CHEMBL464404

KEGG

By LinkDB C10199

CTD

By CAS RN C080240

Species

Summary

Plant class

class name count
rosids 41

Family

family name count
Fabaceae 41

List (41)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Afrormosia elata 3803 Fabaceae rosids Viridiplantae
Amphimas pterocarpoides 1231536 Fabaceae rosids Viridiplantae
Astragalus clusii 20400 Fabaceae rosids Viridiplantae
Baptisia arachnifera 49796 Fabaceae rosids Viridiplantae
Baptisia australis 149633 Fabaceae rosids Viridiplantae
Baptisia bracteata 313912 Fabaceae rosids Viridiplantae
Baptisia cinerea 313913 Fabaceae rosids Viridiplantae
Baptisia lanceolata 49796 Fabaceae rosids Viridiplantae
Baptisia lecontei 49796 Fabaceae rosids Viridiplantae
Baptisia megacarpa 49796 Fabaceae rosids Viridiplantae
Baptisia nuttalliana 49796 Fabaceae rosids Viridiplantae
Baptisia perfoliata 49796 Fabaceae rosids Viridiplantae
Baptisia simplicifolia 49796 Fabaceae rosids Viridiplantae
Baptisia tinctoria 49797 Fabaceae rosids Viridiplantae
Castanospermum australe 24962 Fabaceae rosids Viridiplantae
Centrosema haitiense 167616 Fabaceae rosids Viridiplantae
Centrosema pubescens 185703 Fabaceae rosids Viridiplantae
Cladrastis kentukea 38412 Fabaceae rosids Viridiplantae
Cladrastis platycarpa 247908 Fabaceae rosids Viridiplantae
Cladrastis sikokiana 53857 Fabaceae rosids Viridiplantae
Dalbergia frutescens 450026 Fabaceae rosids Viridiplantae
Dipteryx odorata 53873 Fabaceae rosids Viridiplantae
Gliricidia sepium 167663 Fabaceae rosids Viridiplantae
Glycine max 3847 Fabaceae rosids Viridiplantae
Glycyrrhiza glabra 49827 Fabaceae rosids Viridiplantae
Glycyrrhiza pallidiflora 74859 Fabaceae rosids Viridiplantae
Medicago truncatula 3880 Fabaceae rosids Viridiplantae
Millettia dielsiana 185709 Fabaceae rosids Viridiplantae
Millettia reticulata 54882 Fabaceae rosids Viridiplantae
Myrocarpus fastigiatus 1079076 Fabaceae rosids Viridiplantae
Myroxylon balsamum 53906 Fabaceae rosids Viridiplantae
Myroxylon peruiferum 1231556 Fabaceae rosids Viridiplantae
Onobrychis viciifolia 3882 Fabaceae rosids Viridiplantae
Pericopsis elata 1079081 Fabaceae rosids Viridiplantae
Pericopsis mooniana 53917 Fabaceae rosids Viridiplantae
Pisum sativum 3888 Fabaceae rosids Viridiplantae
Pterodon apparicioi 104317 Fabaceae rosids Viridiplantae
Spatholobus suberectus 455371 Fabaceae rosids Viridiplantae
Taverniera abyssinica 754915 Fabaceae rosids Viridiplantae
Wisteria brachybotrys 185975 Fabaceae rosids Viridiplantae
Wisteria floribunda 3922 Fabaceae rosids Viridiplantae

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 CHEMBL464404 CHEMBL1738132 (1)
7 / 44
P17405 Sphingomyelin phosphodiesterase Enzyme CHEMBL464404 CHEMBL1794495 (1)
2 / 2
O75496 Geminin Unclassified protein CHEMBL464404 CHEMBL2114843 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL464404 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL464404 CHEMBL2114807 (1)
4 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL464404 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL464404 CHEMBL2354311 (1)
1 / 0

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C080240 4363 ABCC1
ABC29
ABCC
GS-X
MRP
MRP1
ATP-binding cassette, sub-family C (CFTR/MRP), member 1 afromosin affects the activity of ABCC1 protein affects activity
protein 15796199

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

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
#137800 Glioma susceptibility 1; glm1 O75874
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#257200 Niemann-pick disease, type a P17405
#607616 Niemann-pick disease, type b P17405
#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 (39)

KEGG disease name UniProt
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)
H00137 Niemann-Pick disease (NPD) typeA and B P17405 (related)
H00424 Defects in the degradation of sphingomyelin P17405 (related)