Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02170"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9.
Xanthones
Organic Compounds
Heterocyclic Compounds
Benzopyrans
Dibenzopyrans
Chromones
Nitrophenols and Derivatives
Nitrobenzenes
Aminophenols
Pyranones and Derivatives
Nitronic Acids
Polyols
Nitro Compounds
Enols
Polyamines
Organic Oxoazanium Compounds
chromone
nitrophenol derivative
nitrobenzene
aminophenol
pyranone
phenol derivative
benzene
pyran
nitro compound
polyol
nitronic acid
organic oxoazanium
polyamine
enol
organonitrogen compound
amine
logP
2.53
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
3.25e-01 g/l
ALOGPS
logP
3.59
ChemAxon
IUPAC Name
1,8-dihydroxy-4-nitro-9H-xanthen-9-one
ChemAxon
Traditional IUPAC Name
1,8-dihydroxy-4-nitroxanthen-9-one
ChemAxon
Molecular Weight
273.1978
ChemAxon
Monoisotopic Weight
273.027336961
ChemAxon
SMILES
OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O
ChemAxon
Molecular Formula
C13H7NO6
ChemAxon
InChI
InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H
ChemAxon
InChIKey
InChIKey=ZOHCDJRFYXKEQW-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
112.58
ChemAxon
Refractivity
68.1
ChemAxon
Polarizability
24.39
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
7.26
ChemAxon
pKa (strongest basic)
-5.2
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5326637
PubChem Substance
46508489
ChemSpider
4484006
PDB
MNX
BE0001209
Casein kinase II subunit alpha
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Casein kinase II subunit alpha
Involved in protein kinase activity
Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha and alpha' chains contain the catalytic site. Participates in Wnt signaling. CK2 phosphorylates 'Ser-392' of p53/TP53 following UV irradiation
CSNK2A1
20p13
None
7.86
45144.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:2457
GenAtlas
CSNK2A1
GeneCards
CSNK2A1
GenBank Gene Database
J02853
GenBank Protein Database
598147
UniProtKB
P68400
UniProt Accession
CSK21_HUMAN
CK II
EC 2.7.11.1
>Casein kinase II subunit alpha
MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINIT
NNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTD
FKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAE
FYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYD
QLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDF
LDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPT
PSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ
>1176 bp
ATGTCGGGACCCGTGCCAAGCAGGGCCAGAGTTTACACAGATGTTAATACACACAGACCT
CGAGAATACTGGGATTACGAGTCACATGTGGTGGAATGGGGAAATCAAGATGACTACCAG
CTGGTTCGAAAATTAGGCCGAGGTAAATACAGTGAAGTATTTGAAGCCATCAACATCACA
AATAATGAAAAAGTTGTTGTTAAAATTCTCAAGCCAGTAAAAAAGAAGAAAATTAAGCGT
GAAATAAAGATTTTGGAGAATTTGAGAGGAGGTCCCAACATCATCACACTGGCAGACATT
GTAAAAGACCCTGTGTCACGAACCCCCGCCTTGGTTTTTGAACACGTAAACAACACAGAC
TTCAAGCAATTGTACCAGACGTTAACAGACTATGATATTCGATTTTACATGTATGAGATT
CTGAAGGCCCTGGATTATTGTCACAGCATGGGAATTATGCACAGAGATGTCAAGCCCCAT
AATGTCATGATTGATCATGAGCACAGAAAGCTACGACTAATAGACTGGGGTTTGGCTGAG
TTTTATCATCCTGGCCAAGAATATAATGTCCGAGTTGCTTCCCGATACTTCAAAGGTCCT
GAGCTACTTGTAGACTATCAGATGTACGATTATAGTTTGGATATGTGGAGTTTGGGTTGT
ATGCTGGCAAGTATGATCTTTCGGAAGGAGCCATTTTTCCATGGACATGACAATTATGAT
CAGTTGGTGAGGATAGCCAAGGTTCTGGGGACAGAAGATTTATATGACTATATTGACAAA
TACAACATTGAATTAGATCCACGTTTCAATGATATCTTGGGCAGACACTCTCGAAAGCGA
TGGGAACGCTTTGTCCACAGTGAAAATCAGCACCTTGTCAGCCCTGAGGCCTTGGATTTC
CTGGACAAACTGCTGCGATATGACCACCAGTCACGGCTTACTGCAAGAGAGGCAATGGAG
CACCCCTATTTCTACACTGTTGTGAAGGACCAGGCTCGAATGGGTTCATCTAGCATGCCA
GGGGGCAGTACGCCCGTCAGCAGCGCCAATATGATGTCAGGGATTTCTTCAGTGCCAACC
CCTTCACCCCTTGGACCTCTGGCAGGCTCACCAGTGATTGCTGCTGCCAACCCCCTTGGG
ATGCCTGTTCCAGCTGCCGCTGGCGCTCAGCAGTAA
PF00069
Pkinase
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object