PCIDB

KNApSAcK Metabolite C00019999

Metabolite

KNApSAcK Entry

id C00019999
Name Peucedanocoumarin III
CAS RN 130464-57-2
Standard InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 224

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL71876 CHEMBL1376728 CHEMBL1494966 CHEMBL1884860

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Apiaceae 1
Rubiaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Morinda citrifolia L. 43522 Rubiaceae asterids Viridiplantae
Peucedanum praeruptorum 312531 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

16 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1376728 CHEMBL1494966 CHEMBL1613992 (1) CHEMBL1613995 (1)
7 / 44
Q99700 Ataxin-2 Unclassified protein CHEMBL1376728 CHEMBL2114784 (1)
1 / 1
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL1494966 CHEMBL1614103 (1) CHEMBL1614031 (1)
1 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1376728 CHEMBL1614166 (1)
1 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1376728 CHEMBL1494966 CHEMBL1614458 (3)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1884860 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1884860 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1494966 CHEMBL2114788 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1376728 CHEMBL1794467 (1)
0 / 0
P06280 Alpha-galactosidase A Enzyme CHEMBL1376728 CHEMBL1614369 (1)
1 / 1
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1376728 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1494966 CHEMBL1614038 (1)
2 / 2
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1376728 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1376728 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1376728 CHEMBL1738184 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1376728 CHEMBL1494966 CHEMBL1613914 (3)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#114500 Colorectal cancer; crc P84022
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P04637
#301500 Fabry disease P06280
#232300 Glycogen storage disease ii P10253
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#211980 Lung cancer P04637
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#260500 Papilloma of choroid plexus; cpp P04637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (45)

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)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma 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)
H00125 Fabry disease P06280 (related)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)