Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04682"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
9036-19-5
experimental
This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
Cumenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Cumenes
Phenol Ethers
Alkyl Aryl Ethers
Polyamines
Primary Alcohols
Isooctanes
isooctane
phenol ether
alkyl aryl ether
polyamine
primary alcohol
ether
alcohol
alkylphenol-hydroxypolyoxyetheylene
Anapoe-305
Surface-Active Agents
Antifoaming Agents
Detergents
Excipients
Spermatocidal Agents
logP
4.16
ALOGPS
logS
-5.2
ALOGPS
Water Solubility
2.39e-03 g/l
ALOGPS
logP
4.01
ChemAxon
IUPAC Name
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,4,7,10-tetraoxadodecan-12-ol
ChemAxon
Traditional IUPAC Name
triton X-305
ChemAxon
Molecular Weight
382.5341
ChemAxon
Monoisotopic Weight
382.271924326
ChemAxon
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCO)C=C1
ChemAxon
Molecular Formula
C22H38O5
ChemAxon
InChI
InChI=1S/C22H38O5/c1-21(2,3)18-22(4,5)19-6-8-20(9-7-19)27-17-16-26-15-14-25-13-12-24-11-10-23/h6-9,23H,10-18H2,1-5H3
ChemAxon
InChIKey
InChIKey=UYDLBVPAAFVANX-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
57.15
ChemAxon
Refractivity
108.84
ChemAxon
Polarizability
46.64
ChemAxon
Rotatable Bond Count
15
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
15.12
ChemAxon
pKa (strongest basic)
-2.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
628327
PubChem Substance
46505911
PDB
DR6
BE0003566
Troponin C, skeletal muscle
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
Troponin C, skeletal muscle
Involved in calcium ion binding
Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components:Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site for tropomyosin and Tn-C. The binding of calcium to Tn-C abolishes the inhibitory action of Tn on actin filaments
TNNC2
20q12-q13.11
None
3.81
18121.9
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:11944
GeneCards
TNNC2
GenBank Gene Database
X07898
GenBank Protein Database
36729
UniProtKB
P02585
UniProt Accession
TNNC2_HUMAN
>Troponin C, skeletal muscle
MTDQQAEARSYLSEEMIAEFKAAFDMFDADGGGDISVKELGTVMRMLGQTPTKEELDAII
EEVDEDGSGTIDFEEFLVMMVRQMKEDAKGKSEEELAECFRIFDRNADGYIDPEELAEIF
RASGEHVTDEEIESLMKDGDKNNDGRIDFDEFLKMMEGVQ
>483 bp
ATGACGGACCAGCAGGCTGAGGCCAGGTCCTACCTCAGCGAAGAGATGATCGCTGAGTTC
AAGGCTGCCTTTGACATGTTTGATGCTGATGGTGGTGGGGACATCAGCGTCAAGGAGTTG
GGCACGGTGATGAGGATGCTGGGCCAGACACCCACCAAGGAGGAGCTGGACGCCATCATC
GAGGAGGTGGATGAGGACGGCAGCGGCACCATCGACTTCGAGGAGTTCTTGGTCATGATG
GTGCGCCAGATGAAAGAGGACGCGAAAGGGAAGAGCGAGGAGGAGCTGGCCGAGTGCTTC
CGCATCTTCGACAGGAATGCAGACGGCTACATCGACCCGGAGGAGCTGGCTGAGATTTTC
AGGGCCTCCGGGGAGCACGTGACTGACGAGGAGATCGAATCTCTGATGAAAGACGGCGAC
AAGAACAACGACGGCCGCATTGACTTCGACGAGTTCCTGAAGATGATGGAGGGCGTGCAG
TAA
PF00036
efhand
function
binding
function
ion binding
function
cation binding
function
calcium ion binding
"
|
| drugbank:drugCategory | |
| rdf:type | |
| drugbank:drugCategory | |
| drugbank:drugCategory | |
| rdfs:label |
"Octylphenoxy polyethoxyethanol"
|
| drugbank:drugCategory | |
| drugbank:drugCategory |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object