PCIDB

KNApSAcK Metabolite C00023763

Metabolite

KNApSAcK Entry

id C00023763
Name Pyrocalciferol
CAS RN 128-27-8
Standard InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25-,26-,27+,28+/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 111

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL222608 CHEMBL1232562 CHEMBL1512075 CHEMBL1741735 CHEMBL1965225

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Aspergillaceae 1
Hypocreaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Penicillium notatum 5076 Aspergillaceae Fungi
Trichoderma koningii 97093 Hypocreaceae Fungi

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1741735 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1741735 CHEMBL1741325 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL1512075 CHEMBL1794311 (1)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1512075 CHEMBL1614458 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1512075 CHEMBL1794467 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1741735 CHEMBL1741322 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL1512075 CHEMBL1614240 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1741735 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1741735 CHEMBL1741324 (1)
0 / 1
P22309 UDP-glucuronosyltransferase 1-1 Enzyme CHEMBL1232562 CHEMBL1908080 (1)
5 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1512075 CHEMBL1614421 (1)
4 / 3
P31939 Bifunctional purine biosynthesis protein PURH Enzyme CHEMBL222608 CHEMBL914875 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#608688 Aicar transformylase/imp cyclohydrolase deficiency P31939
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#218800 Crigler-najjar syndrome, type i P22309
#606785 Crigler-najjar syndrome, type ii P22309
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#600274 Frontotemporal dementia; ftd P10636
#143500 Gilbert syndrome P22309
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (11)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H01205 Coumarin resistance P11712 (related)
H00208 Hyperbilirubinemia P22309 (related)
H00966 AICA-ribosiduria P31939 (related)
H01171 Poor drug metabolism (PM) P33261 (related)