Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02080"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene"
|
| rdf:type | |
| drugbank:description |
"
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
Isooctanes
phenol ether
isooctane
alkyl aryl ether
ether
polyamine
logP
4.81
ALOGPS
logS
-6.2
ALOGPS
Water Solubility
2.07e-04 g/l
ALOGPS
logP
4.7
ChemAxon
IUPAC Name
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,4,7,10-tetraoxaundecane
ChemAxon
Traditional IUPAC Name
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,4,7,10-tetraoxaundecane
ChemAxon
Molecular Weight
352.5081
ChemAxon
Monoisotopic Weight
352.26135964
ChemAxon
SMILES
COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C
ChemAxon
Molecular Formula
C21H36O4
ChemAxon
InChI
InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
ChemAxon
InChIKey
InChIKey=HEUDUECKTWTQQR-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
36.92
ChemAxon
Refractivity
102.54
ChemAxon
Polarizability
43.33
ChemAxon
Rotatable Bond Count
13
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-3.6
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
446308
PubChem Substance
46506840
ChemSpider
393701
PDB
TRT
BE0001640
Phospholipase A2, membrane associated
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
Phospholipase A2, membrane associated
Involved in phospholipase A2 activity
Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides
PLA2G2A
1p35
Membrane; peripheral membrane protein
None
9.51
16083.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9031
GenAtlas
PLA2G2A
GeneCards
PLA2G2A
GenBank Gene Database
M22430
GenBank Protein Database
190889
UniProtKB
P14555
UniProt Accession
PA2GA_HUMAN
EC 3.1.1.4
GIIC sPLA2
Group IIA phospholipase A2
Non-pancreatic secretory phospholipase A2
NPS-PLA2
Phosphatidylcholine 2-acylhydrolase
Phospholipase A2, membrane associated precursor
>Phospholipase A2, membrane associated precursor
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDAT
DRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFAR
NKTTYNKKYQYYSNKHCRGSTPRC
>435 bp
ATGAAGACCCTCCTACTGTTGGCAGTGATCATGATCTTTGGCCTACTGCAGGCCCATGGG
AATTTGGTGAATTTCCACAGAATGATCAAGTTGACGACAGGAAAGGAAGCCGCACTCAGT
TATGGCTTCTACGGCTGCCACTGTGGCGTGGGTGGCAGAGGATCCCCCAAGGATGCAACG
GATCGCTGCTGTGTCACTCATGACTGTTGCTACAAACGTCTGGAGAAACGTGGATGTGGC
ACCAAATTTCTGAGCTACAAGTTTAGCAACTCGGGGAGCAGAATCACCTGTGCAAAACAG
GACTCCTGCAGAAGTCAACTGTGTGAGTGTGATAAGGCTGCTGCCACCTGTTTTGCTAGA
AACAAGACGACCTACAATAAAAAGTACCAGTACTATTCCAATAAACACTGCAGAGGGAGC
ACCCCTCGTTGCTGA
PF00068
Phospholip_A2_1
function
ion binding
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
BE0001322
Signal peptidase I
Escherichia coli (strain K12)
# 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
Signal peptidase I
Intracellular trafficking, secretion, and vesicular transport
Cleavage of hydrophobic, N-terminal signal or leader sequences from secreted and periplasmic proteins
lepB
Cell inner membrane; multi-pass membrane protein
4-22
59-77
7.43
35961.0
Escherichia coli (strain K12)
GenBank Gene Database
K00426
GenBank Protein Database
146600
UniProtKB
P00803
UniProt Accession
LEP_ECOLI
EC 3.4.21.89
Leader peptidase I
SPase I
>Signal peptidase I
MANMFALILVIATLVTGILWCVDKFFFAPKRRERQAAAQAAAGDSLDKATLKKVAPKPGW
LETGASVFPVLAIVLIVRSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTL
IETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENA
LPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILT
VPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAI
WMSFDKQEGEWPTGLRLSRIGGIH
>972 bp
ATGGCGAATATGTTTGCCCTGATTCTGGTGATTGCCACACTGGTGACGGGCATTTTATGG
TGCGTGGATAAATTCTTTTTCGCACCTAAACGGCGGGAACGTCAGGCAGCGGCGCAGGCG
GCTCGGGACTCACTGGATAAAGCAACGTTGAAAAAGGTTGCGCCGAAGCCTGGCTGGCTG
GAAACCGGTGCTTCTGTTTTTCCGGTACTGGCTATCGTATTGATTGTGCGTTCGTTTATT
TATGAACCGTTCCAGATCCCGTCAGGTTCGATGATGCCGACTCTGTTAATTGGTGATTTT
ATTCTGGTAGAGAAGTTTGCTTATGGCATTAAAGATCCTATCTACCAGAAAACGCTGATC
GAAAACGGTCATCCGAAACGCGGCGATATCGTGGTCTTTAAATATCCGGAAGATCCAAAG
CTTGATTACATCAAGCGCGCGGTCGGTTTACCGGGCGATAAAGTCACTTACGATCCGGTC
TCAAAAGAGCTGACGATTCAACCGGGATGCAGTTCCGGCCAGGCGTGTGAAAACGCGCTG
CCGGCTACCTACTCAAACGTGGAACCGAGCGATTTCGTTCAGACCTTCTCACGCCGTAAT
GGTGGGGAAGCGACCAGCGGATTCTTTGAAGTGCCGAAAAACGAAACCAAAGAAAATGGA
ATTCGTCTTTCCGAGCGTAAAGAGACACTGGGTGATGTGACGCACCGCATTCTGACAGTG
CCGATTGCGCAGGATCAGGTGGGGATGTATTACCAGCAGCCAGGGCAACAACTGGCAACC
TGGATTGTTCCTCCGGGACAATACTTCATGATGGGCGACAACCGCGACAACAGCGCGGAC
AGCCGTTACTGGGGCTTTGTGCCGGAAGCGAATCTGGTCGGTCGGGCAACGGCTATCTGG
ATGAGCTTCGATAAGCAAGAAGGCGAATGGCCGACTGGTCTGCGCTTAAGTCGCATTGGC
GGCATCCATTAA
PF00717
Peptidase_S24
component
cell
component
membrane
function
peptidase activity
function
serine-type peptidase activity
function
catalytic activity
function
hydrolase activity
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
process
metabolism
process
macromolecule metabolism
BE0000643
Alpha-tocopherol transfer 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
Alpha-tocopherol transfer protein
Involved in vitamin E transporter activity
Binds alpha-tocopherol and enhances its transfer between separate membranes
TTPA
8q13.1-q13.3
Cytoplasm
None
7.78
31750.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:12404
GenAtlas
TTPA
GeneCards
TTPA
GenBank Gene Database
D49488
GenBank Protein Database
699601
UniProtKB
P49638
UniProt Accession
TTPA_HUMAN
Alpha-TTP
>Alpha-tocopherol transfer protein
MAEARSQPSAGPQLNALPDHSPLLQPGLAALRRRAREAGVPLAPLPLTDSFLLRFLRARD
FDLDLAWRLLKNYYKWRAECPEISADLHPRSIIGLLKAGYHGVLRSRDPTGSKVLIYRIA
HWDPKVFTAYDVFRVSLITSELIVQEVETQRNGIKAIFDLEGWQFSHAFQITPSVAKKIA
AVLTDSFPLKVRGIHLINEPVIFHAVFSMIKPFLTEKIKERIHMHGNNYKQSLLQHFPDI
LPLEYGGEEFSMEDICQEWTNFIMKSEDYLSSISESIQ
>837 bp
ATGGCAGAGGCGCGATCCCAGCCCTCGGCGGGGCCGCAGCTCAACGCGCTACCGGACCAC
TCTCCGTTGCTGCAGCCGGGCCTGGCGGCGCTGCGGCGCCGGGCCCGGGAAGCTGGCGTC
CCGCTCGCGCCGCTGCCGCTCACCGACTCCTTCCTGCTGCGGTTCCTGCGCGCCCGGGAT
TTCGATCTGGACCTGGCCTGGCGGTTACTAAAAAACTATTATAAGTGGAGAGCAGAATGT
CCAGAAATAAGTGCAGATCTACACCCTAGAAGTATTATTGGCCTCCTAAAGGCTGGCTAC
CATGGAGTCCTGAGATCCAGGGATCCCACTGGCAGCAAAGTTCTTATTTACAGAATCGCA
CACTGGGACCCCAAAGTTTTTACAGCTTATGACGTATTTCGAGTAAGTCTAATCACATCC
GAGCTTATTGTACAGGAGGTAGAAACTCAGCGGAATGGAATCAAGGCTATCTTTGATCTG
GAAGGTTGGCAGTTTTCTCATGCTTTTCAAATCACTCCATCCGTAGCCAAGAAGATTGCT
GCTGTACTTACGGATTCATTTCCATTGAAAGTTCGTGGCATCCATTTGATAAATGAACCA
GTAATTTTCCATGCTGTCTTTTCCATGATCAAACCATTCCTGACTGAAAAAATTAAGGAA
CGGATTCACATGCATGGGAACAACTACAAACAAAGCTTGCTTCAGCATTTCCCAGACATT
CTTCCTCTGGAATATGGTGGTGAAGAATTCTCCATGGAGGACATTTGTCAGGAATGGACA
AATTTTATAATGAAGTCTGAAGATTATCTCAGCAGCATTTCTGAGAGCATTCAATGA
PF00650
CRAL_TRIO
PF03765
CRAL_TRIO_N
component
cell
component
intracellular
function
transporter activity
process
transport
process
physiological process
process
cellular physiological process
"
|
| 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