Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02185"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) breaing a ketone group.
Benzoxazinones
Organic Compounds
Heterocyclic Compounds
Benzoxazines
Benzoxazinones
Benzomorpholines
Anisoles
Alkyl Aryl Ethers
Hemiacetals
Carboxylic Acid Amides
Polyamines
anisole
phenol ether
alkyl aryl ether
oxazinane
benzene
carboxamide group
hemiacetal
polyamine
carboxylic acid derivative
ether
organonitrogen compound
logP
0.13
ALOGPS
logS
-0.93
ALOGPS
Water Solubility
2.46e+01 g/l
ALOGPS
logP
-0.055
ChemAxon
IUPAC Name
(2R)-2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one
ChemAxon
Traditional IUPAC Name
(2R)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3-one
ChemAxon
Molecular Weight
211.1715
ChemAxon
Monoisotopic Weight
211.048072403
ChemAxon
SMILES
[H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O
ChemAxon
Molecular Formula
C9H9NO5
ChemAxon
InChI
InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1
ChemAxon
InChIKey
InChIKey=GDNZNIJPBQATCZ-SECBINFHSA-N
ChemAxon
Polar Surface Area (PSA)
79.23
ChemAxon
Refractivity
48.47
ChemAxon
Polarizability
19.33
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
7.85
ChemAxon
pKa (strongest basic)
-4.6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
445228
PubChem Substance
46508130
ChemSpider
392925
PDB
HBO
BE0004111
Lactase-like protein
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
Lactase-like protein
Carbohydrate transport and metabolism
LCTL
15q22.31
Endoplasmic reticulum membrane
542-562
8.12
65087.8
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:15583
GeneCards
LCTL
GenBank Gene Database
AY358729
GenBank Protein Database
37182579
UniProtKB
Q6UWM7
UniProt Accession
LCTL_HUMAN
Klotho/lactase-phlorizin hydrolase-related protein
>Lactase-like protein
MKPVWVATLLWMLLLVPRLGAARKGSPEEASFYYGTFPLGFSWGVGSSAYQTEGAWDQDG
KGPSIWDVFTHSGKGKVLGNETADVACDGYYKVQEDIILLRELHVNHYRFSLSWPRLLPT
GIRAEQVNKKGIEFYSDLIDALLSSNITPIVTLHHWDLPQLLQVKYGGWQNVSMANYFRD
YANLCFEAFGDRVKHWITFSDPRAMAEKGYETGHHAPGLKLRGTGLYKAAHHIIKAHAKA
WHSYNTTWRSKQQGLVGISLNCDWGEPVDISNPKDLEAAERYLQFCLGWFANPIYAGDYP
QVMKDYIGRKSAEQGLEMSRLPVFSLQEKSYIKGTSDFLGLGHFTTRYITERNYPSRQGP
SYQNDRDLIELVDPNWPDLGSKWLYSVPWGFRRLLNFAQTQYGDPPIYVMENGASQKFHC
TQLCDEWRIQYLKGYINEMLKAIKDGANIKGYTSWSLLDKFEWEKGYSDRYGFYYVEFND
RNKPRYPKASVQYYKKIIIANGFPNPREVESWYLKALETCSINNQMLAAEPLLSHMQMVT
EIVVPTVCSLCVLITAVLLMLLLRRQS
>1704 bp
ATGAAGCCAGTGTGGGTCGCCACCCTTCTGTGGATGCTACTGCTGGTGCCCAGGCTGGGG
GCCGCCCGGAAGGGGTCCCCAGAAGAGGCCTCCTTCTACTATGGAACCTTCCCTCTTGGC
TTCTCCTGGGGCGTGGGCAGTTCTGCCTACCAGACGGAGGGCGCCTGGGACCAGGACGGG
AAAGGGCCTAGCATCTGGGACGTCTTCACACACAGTGGGAAGGGGAAAGTGCTTGGGAAT
GAGACGGCAGATGTAGCCTGTGACGGCTACTACAAGGTCCAGGAGGACATCATTCTGCTG
AGGGAACTGCACGTCAACCACTACCGATTCTCCCTGTCTTGGCCCCGGCTCCTGCCCACA
GGCATCCGAGCCGAGCAGGTGAACAAGAAGGGAATCGAATTCTACAGTGATCTTATCGAT
GCCCTTCTGAGCAGCAACATCACTCCCATCGTGACCTTGCACCACTGGGATCTGCCACAG
CTGCTCCAGGTCAAATACGGTGGGTGGCAGAATGTGAGCATGGCCAACTACTTCAGAGAC
TACGCCAACCTGTGCTTTGAGGCCTTTGGGGACCGTGTGAAGCACTGGATCACGTTCAGT
GATCCTCGGGCAATGGCAGAAAAAGGCTATGAGACGGGCCACCATGCGCCGGGCCTGAAG
CTCCGCGGCACCGGCCTGTACAAGGCAGCACACCACATCATTAAGGCCCACGCCAAAACC
TGGCATTCTTATAACACCACGTGGCGCAGCAAGCAGCAAGGTCTGGTGGGAATTTCACTG
AACTGTGACTGGGGGGAACCTGTGGACATTAGTAACCCCAAGGACCTAGAGGCTGCCGAG
AGATACCTACAGTTCTGTCTGGGCTGGTTTGCCAACCCCATTTATGCCGGTGACTACCCC
CAAGTCATGAAGGACTACATTGGAAGAAAGAGTGCAGAGCAAGGCCTGGAGATGTCGAGG
TTACCGGTGTTCTCACTCCAGGAGAAGAGCTACATTAAAGGCACATCCGATTTCTTGGGA
TTAGGTCATTTTACTACTCGGTACATCACGGAAAGGAACTACCCCTCCCGCCAGGGGCCC
AGCTACCAGAACGATCGTGACTTGATAGAGCTGGTTGACCCAAACTGGCCAGATCTGGGG
TCTAAATGGCTATATTCTGTGCCATGGGGATTTAGGAGGCTCCTTAACTTTGCTCAGACT
CAATACGGTGATCCTCCCATATATGTGATGGAAAATGGAGCATCTCAAAAATTCCACTGT
ACTCAATTATGTGATGAGTGGAGAATTCAATACCTTAAAGGATACATAAATGAAATGCTA
AAAGCTATAAAAGATGGTGCTAATATAAAGGGGTATACTTCCTGGTCTCTGTTGGATAAG
TTTGAATGGGAGAAAGGATACTCAGATAGATATGGATTCTACTATGTTGAATTTAACGAC
AGAAATAAGCCTCGCTATCCAAAGGCTTCAGTTCAATATTACAAGAAGATTATCATTGCC
AATGGGTTTCCCAATCCAAGAGAGGTGGAAAGTTGGTACCTCAAAGCTTTGGAAACTTGC
TCTATCAACAATCAGATGCTTGCTGCAGAGCCTTTGCTAAGTCACATGCAAATGGTTACG
GAGATCGTGGTACCCACTGTCTGCTCCCTCTGTGTCCTCATCACTGCTGTTCTACTAATG
CTCCTCCTGAGGAGGCAGAGCTGA
PF00232
Glyco_hydro_1
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| rdfs:label |
"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object