Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02253"

PredicateValue (sorted: default)
rdfs:label
"(1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl]-3,5,5-Trimethylcyclohex-3-En-1-Ol"
rdf:type
drugbank:description
" experimental This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units. Diterpenes Organic Compounds Lipids Prenol Lipids Diterpenes Fatty Alcohols Cyclitols and Derivatives Secondary Alcohols Primary Alcohols Polyamines fatty alcohol cyclitol derivative cyclic alcohol secondary alcohol polyamine primary alcohol alcohol logP 6.84 ALOGPS logS -5.4 ALOGPS Water Solubility 1.57e-03 g/l ALOGPS logP 5.9 ChemAxon IUPAC Name (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon Traditional IUPAC Name (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon Molecular Weight 434.6533 ChemAxon Monoisotopic Weight 434.318480588 ChemAxon SMILES OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ChemAxon Molecular Formula C30H42O2 ChemAxon InChI InChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12-,24-13-,25-16+,26-17+/t28-/m1/s1 ChemAxon InChIKey InChIKey=FNAJVVMDXCOSFY-VFGOXHQXSA-N ChemAxon Polar Surface Area (PSA) 40.46 ChemAxon Refractivity 149.43 ChemAxon Polarizability 55.26 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 16.76 ChemAxon pKa (strongest basic) -1.1 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon ChEBI 39930 PubChem Compound 5287502 PubChem Substance 46506703 ChemSpider 21239499 PDB 3ON BE0002716 Apocarotenoid-15,15'-oxygenase Synechocystis sp. (strain PCC 6803 / Kazusa) unknown Apocarotenoid-15,15'-oxygenase Secondary metabolites biosynthesis, transport and catabolism sll1541 None 6.16 54287.0 Synechocystis sp. (strain PCC 6803 / Kazusa) GenBank Gene Database BA000022 UniProtKB P74334 UniProt Accession ACOX_SYNY3 >Lignostilbene-alpha,beta-dioxygenase MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEI GDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGG WLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPL SAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDF AITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAG FVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVE KQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAP HGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIP YPLHGSWAQT >1473 bp TCAAGTCTGGGCCCAGGAACCGTGCAGGGGATAGGGAATGTGATGCTTTAACTTCAAAGT GGCGATCGCCGGAGCAGTAATGTCCTGAGCATCAAGAATCACTAGTTCGGAACGGTGCAA ATCAGCTTTATAAATCAAGCAGAGCAACCAACCATCATCTTCAGCCACGCCACCGGGTCG GGGCACAAAAATAGGTTCCCCGGCAAAACCATGGGGGGCAAAGGAACGTAGAGTTTCAGT GCCGGACTCTAGATCTACTTTGAGAATGGCCTGAAGGGGAGCATTGCCTGTGCTATGGTG TGCGGCTCCCATGTAAACATAGCGATATGGACGGCCAACCTGCTGGGGATGGACAACGGG AAACTCGCAACAACGACTAACCATTAACTGTTTTTCCACCGTGGCTGCTGCGGGATCAAT GGTGAAACGCCATAACTGTCCGGGATCTAAATTATCGAAATTCGTACTACGAAAATCCCC ATCGGTGTCTACCTGGGGCAGGGAATTGTAACAAATGGAATCGAGGATTATTTTGCCATT TTCCTCAAAAGCGTTGGCATGGTGAAAAACAAAGCCTGCCTGTACCGGAATTCTTTTTAT TTCTCCACCGTCCCTAGGAACGAGAATAATTTGAGCAGGTTTATCGGGATGAAATTGCAC ACATTCCCCTGCTCCTCGCAAACCGAAAAGGTAGGGTAACCCGTTGAGAGTAACGTTATT TTGCAGAAAAATGGCGTAATGGGGCGTGATCGCAAAATCATGAATAAAAGCAAAACCAGG AAAAGTTTCAGTTTTTTGCCGCAACAATTTACCCTGGGGGTCTAGCTCTAACAGGGTGAG GGTACTGCTCAAGCTGGATTTAATTGAAAAGGTCACATAGCAGGGTTGGCCCCCATCAAA AGTTGAAGCCGGATCAATGCGGGGATGGGCCGACAGGGGTTGCCCTTCCGCAAGAATGCC GCCCAAATCATCCAACCCAATGGTTGCTAAGTTTGATGGTTCCAAGCGATGGGGTTGTCC CCCTTCCCATAGGGCCAAGAGGCGATCGCCCCAGTAGGTAATGTTGGTGTTGGCAATGTT TTTTAGCCGTAAGTCAAAGATAGTTTTGAGCCAGCCCCCCGCCGGTTGGGAACCAAAGAC GCCCCGATAGATCATTTTTCCCGCTTTTTGCTCTTCCACGTAACCCTGGGTGCGGACAAA TTTGCTCTGGAAATGTACTCGACCGTCCCCAGGAAATTTAAAGGCTGTCACCATGCCGTC CCCGTCAAAGGGATGCTTCAAAGGGCGATCGCCAATTTCCAATAATCCAGGGCCGTTGCG ATAGAGCGTTCCCTGGAGGTCTGGGGGTATGCTCCCTTCCACGTCTTCGACCCAATAATC CCACTCCTGGGGCTGGGACTGGTAACCTCTCAGCCAATCCTGCGGACTGTAGGAGCGCTG CGATGGGGAACTGGTTGGGGGGGAAGTGACCAT PF03055 RPE65 "
owl:sameAs

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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