Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06912"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE"
|
| drugbank:description |
"
experimental
This compound belongs to the acyclic monoterpenes. These are monoterpenes that do not contain a cycle.
Acyclic Monoterpenes
Organic Compounds
Lipids
Prenol Lipids
Monoterpenes
Enals
Enolates
Polyamines
Alpha-hydrogen Aldehydes
enal
alpha,beta-unsaturated aldehyde
enolate
alpha-hydrogen aldehyde
polyamine
aldehyde
logP
3.1
ALOGPS
logS
-4.2
ALOGPS
Water Solubility
1.66e-02 g/l
ALOGPS
logP
1.11
ChemAxon
IUPAC Name
(3E,7E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
ChemAxon
Traditional IUPAC Name
(3E,7E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
ChemAxon
Molecular Weight
264.3169
ChemAxon
Monoisotopic Weight
264.136159128
ChemAxon
SMILES
O=CCCC\C=C(/CC\C=C(/CCC=O)C=O)C=O
ChemAxon
Molecular Formula
C15H20O4
ChemAxon
InChI
InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2/b14-6+,15-8+
ChemAxon
InChIKey
InChIKey=WRPMDTWVLJJHMV-KHOBFWCSSA-N
ChemAxon
Polar Surface Area (PSA)
68.28
ChemAxon
Refractivity
75.48
ChemAxon
Polarizability
28.51
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
14.25
ChemAxon
pKa (strongest basic)
-4
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937035
PubChem Substance
99443383
PDB
220
BE0003751
Lysozyme C
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
Lysozyme C
LYZ
Human
UniProtKB
P61626
UniProt Accession
LYSC_HUMAN
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object