Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02534"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-Allylphenol"
|
| rdf:type | |
| drugbank:description |
"
1745-81-9
experimental
This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.
Phenylpropenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenylpropenes
Phenols and Derivatives
Polyamines
Enols
phenol derivative
polyamine
enol
logP
2.4
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
3.06e+00 g/l
ALOGPS
logP
2.77
ChemAxon
IUPAC Name
2-(prop-2-en-1-yl)phenol
ChemAxon
Traditional IUPAC Name
2-allylphenol
ChemAxon
Molecular Weight
134.1751
ChemAxon
Monoisotopic Weight
134.073164942
ChemAxon
SMILES
OC1=CC=CC=C1CC=C
ChemAxon
Molecular Formula
C9H10O
ChemAxon
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
ChemAxon
InChIKey
InChIKey=QIRNGVVZBINFMX-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
20.23
ChemAxon
Refractivity
42.33
ChemAxon
Polarizability
14.83
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
9.33
ChemAxon
pKa (strongest basic)
-6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Melting Point
-6 °C
PhysProp
Boiling Point
220 °C
PhysProp
PubChem Compound
15624
PubChem Substance
46508761
ChemSpider
14864
PDB
2LP
BE0001248
Lysozyme
Enterobacteria phage T4
# 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
unknown
Lysozyme
Involved in lysozyme activity
Helps to release the mature phage particles from the cell wall by breaking down the peptidoglycan
E
Cytoplasmic
None
10.08
18636.0
Enterobacteria phage T4
GenBank Gene Database
X04567
GenBank Protein Database
15261
UniProtKB
P00720
UniProt Accession
LYS_BPT4
EC 3.2.1.17
Endolysin
Lysis protein
Muramidase
>Lysozyme
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITK
DEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRM
LQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
>495 bp
ATGAATATATTTGAAATGTTACGTATAGATGAACGTCTTAGACTTAAAATCTATAAAGAC
ACAGAAGGCTATTACACTATTGGCATCGGTCATTTGCTTACAAAAAGTCCATCACTTAAT
GCTGCTAAATCTGAATTAGATAAAGCTATTGGGCGTAATTGCAATGGTGTAATTACAAAA
GATGAGGCTGAAAAACTCTTTAATCAGGATGTTGATGCTGCTGTTCGCGGAATTCTGAGA
AATGCTAAATTAAAACCGGTTTATGATTCTCTTGATGCGGTTCGTCGCTGTGCATTGATT
AATATGGTTTTCCAAATGGGAGAAACCGGTGTGGCAGGATTTACTAACTCTTTACGTATG
CTTCAACAAAAACGCTGGGATGAAGCAGCAGTTAACTTAGCTAAAAGTATATGGTATAAT
CAAACACCTAATCGCGCAAAACGAGTCATTACAACGTTTAGAACTGGCACTTGGGACGCG
TATAAAAATCTATAA
PF00959
Phage_lysozyme
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
lysozyme activity
function
catalytic activity
process
metabolism
process
cell wall catabolism
process
peptidoglycan catabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
cellular carbohydrate metabolism
process
peptidoglycan metabolism
process
physiological process
process
catabolism
process
cellular catabolism
"
|
| 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