Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04499"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"R-Styrene Oxide"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.
Benzene and Substituted Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Polyamines
Epoxides
Dialkyl Ethers
polyamine
ether
oxirane
dialkyl ether
logP
1.72
ALOGPS
logS
-2
ALOGPS
Water Solubility
1.26e+00 g/l
ALOGPS
logP
1.74
ChemAxon
IUPAC Name
(2R)-2-phenyloxirane
ChemAxon
Traditional IUPAC Name
R-styrene oxide
ChemAxon
Molecular Weight
120.1485
ChemAxon
Monoisotopic Weight
120.057514878
ChemAxon
SMILES
C1O[C@@H]1C1=CC=CC=C1
ChemAxon
Molecular Formula
C8H8O
ChemAxon
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
ChemAxon
InChIKey
InChIKey=AWMVMTVKBNGEAK-QMMMGPOBSA-N
ChemAxon
Polar Surface Area (PSA)
12.53
ChemAxon
Refractivity
35.33
ChemAxon
Polarizability
12.94
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
45389
PubChem Compound
114705
PubChem Substance
46507332
PDB
RSO
BE0003318
Halohydrin dehalogenase
Agrobacterium tumefaciens
unknown
Halohydrin dehalogenase
Involved in oxidoreductase activity
hheC
None
5.14
27952.0
Agrobacterium tumefaciens
GenBank Gene Database
AF397296
UniProtKB
Q93D82
UniProt Accession
Q93D82_RHIRD
>Halohydrin dehalogenase
MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPA
ELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMK
KRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHS
EDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLA
GGFPMIERWPGMPE
>765 bp
ATGTCAACCGCAATTGTAACAAACGTTAAGCATTTTGGGGGAATGGGGTCTGCACTTCGT
CTCTCGGAAGCAGGACATACAGTGGCTTGCCACGATGAAAGCTTCAAACAAAAGGACGAA
CTTGAAGCCTTTGCCGAAACCTATCCACAACTCAAACCAATGTCGGAACAAGAACCAGCG
GAACTCATCGAGGCAGTTACCTCCGCTTATGGTCAAGTTGATGTACTTGTGAGCAACGAC
ATATTCGCACCAGAGTTCCAACCCATAGATAAATACGCTGTAGAGGACTATCGCGGTGCG
GTCGAGGCGCTACAAATTAGACCATTTGCACTGGTCAACGCCGTTGCAAGTCAAATGAAG
AAGCGCAAAAGCGGACATATTATCTTTATTACCTCTGCAACGCCCTTCGGGCCTTGGAAG
GAACTTTCTACCTACACGTCAGCCCGAGCAGGTGCATGCACCTTGGCAAATGCCCTTTCG
AAGGAACTCGGTGAATACAACATTCCGGTGTTCGCAATAGGACCCAATTATCTTCACAGT
GAAGATAGTCCCTACTTCTACCCCACAGAACCGTGGAAAACGAATCCAGAACACGTTGCC
CATGTCAAAAAAGTCACTGCGCTCCAGCGGTTAGGTACACAGAAAGAATTGGGAGAACTC
GTCGCGTTTCTCGCGTCTGGTAGTTGTGACTATCTGACCGGCCAGGTGTTCTGGTTGGCC
GGCGGATTCCCAATGATCGAGCGTTGGCCTGGTATGCCCGAGTAG
function
catalytic activity
function
oxidoreductase activity
process
physiological process
process
metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object