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PredicateValue (sorted: default)
rdfs:label
"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene"
rdf:type
ns1:drugs
ns1: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
?:EXPT03116

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