Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03430"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2s)-Hydroxy(4-Hydroxyphenyl)Ethanenitrile"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
Benzyl Cyanides
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzyl Cyanides
Phenols and Derivatives
Secondary Alcohols
Cyanohydrins
Enols
Polyamines
phenol derivative
cyanohydrin
secondary alcohol
carbonitrile
nitrile
polyamine
enol
alcohol
organonitrogen compound
logP
0.73
ALOGPS
logS
-1.2
ALOGPS
Water Solubility
8.37e+00 g/l
ALOGPS
logP
0.65
ChemAxon
IUPAC Name
(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
ChemAxon
Traditional IUPAC Name
(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
ChemAxon
Molecular Weight
149.1467
ChemAxon
Monoisotopic Weight
149.047678473
ChemAxon
SMILES
O[C@H](C#N)C1=CC=C(O)C=C1
ChemAxon
Molecular Formula
C8H7NO2
ChemAxon
InChI
InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
ChemAxon
InChIKey
InChIKey=HOOOPXDSCKBLFG-MRVPVSSYSA-N
ChemAxon
Polar Surface Area (PSA)
64.25
ChemAxon
Refractivity
39.66
ChemAxon
Polarizability
14.53
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
9.46
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
16660
PubChem Compound
440104
PubChem Substance
46509050
PDB
DHR
BE0004111
Lactase-like protein
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# 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
physiological process
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object