Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07500"

Predicate	Value (sorted: default)
rdfs:label	"(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution. Chalcones and Dihydrochalcones Organic Compounds Phenylpropanoids and Polyketides Flavonoids Chalcones and Dihydrochalcones Hydroxycinnamic Acids and Derivatives Methoxyphenols and Derivatives Acetophenones Styrenes Benzoyl Derivatives Anisoles Alkyl Aryl Ethers Enones Acryloyl Compounds Polyols Enolates Polyamines Enols cinnamic acid or derivative hydroxycinnamic acid or derivative methoxyphenol acetophenone anisole styrene phenol ether benzoyl phenol derivative alkyl aryl ether benzene acryloyl-group enone polyol ketone ether enol polyamine enolate carbonyl group logP 4.49 ALOGPS logS -5 ALOGPS Water Solubility 3.22e-03 g/l ALOGPS logP 5.5 ChemAxon IUPAC Name (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon Traditional IUPAC Name bavachalcone ChemAxon Molecular Weight 338.397 ChemAxon Monoisotopic Weight 338.151809192 ChemAxon SMILES COC1=CC(O)=C(C=C1CC=C(C)C)C(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon Molecular Formula C21H22O4 ChemAxon InChI InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+ ChemAxon InChIKey InChIKey=ZUGCRBMNFSAUOC-YRNVUSSQSA-N ChemAxon Polar Surface Area (PSA) 66.76 ChemAxon Refractivity 101.54 ChemAxon Polarizability 37.37 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 8.03 ChemAxon pKa (strongest basic) -4.9 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Ghose Filter true ChemAxon PubChem Compound 5321765 PubChem Substance 99443971 ChemSpider 4479431 PDB BVL BE0003768 Group IIE secretory phospholipase A2 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 Group IIE secretory phospholipase A2 Involved in calcium ion binding PA2 catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides. Has a preference for arachidonic-containing phospholipids PLA2G2E 1p36.13 Secreted None 8.28 15988.5 Human HUGO Gene Nomenclature Committee (HGNC) GNC:13414 GeneCards PLA2G2E GenBank Gene Database AF189279 GenBank Protein Database 7108923 UniProtKB Q9NZK7 UniProt Accession PA2GE_HUMAN GIIE sPLA2 Phosphatidylcholine 2-acylhydrolase GIIE sPLA(2)-IIE >Group IIE secretory phospholipase A2 MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGGSHWPVDQTDW CCHAHDCCYGRLEKLGCEPKLEKYLFSVSERGIFCAGRTTCQRLTCECDKRAALCFRRNL GTYNRKYAHYPNKLCTGPTPPC PF00068 Phospholip_A2_1 function lipase activity function catalytic activity function phospholipase activity function phospholipase A2 activity function hydrolase activity function ion binding function cation binding function calcium ion binding function hydrolase activity, acting on ester bonds function binding function carboxylic ester hydrolase activity process physiological process process metabolism process lipid catabolism process primary metabolism process lipid metabolism "

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