1.0 2016-09-30 22:37:58 UTC 2020-04-22 15:05:45 UTC BMDB0000878 BMDB00878 Ergosterol Xanthurenate 8-Hydroxykynurenic acid Gametocyte activating factor (gaf) 4,8-Dihydroxy-2-quinolinecarboxylate 4,8-Dihydroxy-2-quinolinecarboxylic acid 4,8-Dihydroxy-quinaldate 4,8-Dihydroxy-quinaldic acid 4,8-Dihydroxyquinaldate 4,8-Dihydroxyquinaldic acid 4,8-Dihydroxyquinaldinate 4,8-Dihydroxyquinaldinic acid 4,8-Dihydroxyquinoline-2-carboxylate 4,8-Dihydroxyquinoline-2-carboxylic acid 4-Oxoxanthurenic acid 8-Hydroxykynurenate Oxoxanthurenate Xanthurate Xanthuric acid (22E)-Ergosta-5,7,22-trien-3-ol (24R)-Ergosta-5,7,22-trien-3b-ol (3beta)-Ergosta-5,7,22-trien-3-ol (3beta,22E)-Ergosta-5,7,22-trien-3-ol (3beta,2E)-Ergosta-5,7,22-trien-3-ol 24-Methylcholesta-5,7,22-trien-3b-ol 24-Methylcholesta-5,7,22-trien-3beta-ol 24a-Methyl-22E-dehydrocholesterol 24alpha-Methyl-22E-dehydrocholestero 24R-Methylcholesta-5,7,22E-trien-3b-ol 24R-Methylcholesta-5,7,22E-trien-3beta-ol Ergosta-5,7,22-trien-3-ol Ergosterin Provitamine D2 C28H44O 396.6484 396.33921603 (2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol (2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol 59-00-7 CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25?,26?,27-,28+/m0/s1 DNVPQKQSNYMLRS-KQYMERMZSA-N belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Quinoline carboxylic acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 8-hydroxyquinolines Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Hydroxyquinolines Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-hydroxyquinoline Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Dihydroquinoline Dihydroquinolone Heteroaromatic compound Hydrocarbon derivative Hydroxyquinoline Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-2-carboxylic acid Vinylogous amide Aromatic heteropolycyclic compounds dihydroxyquinoline quinolinemonocarboxylic acid Solid melting_point 170 °C water_solubility 16 mg/mL logp 7.39 ALOGPS logs -6.41 ALOGPS logp 6.63 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2R,5S,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol ChemAxon average_mass 396.6484 ChemAxon mono_mass 396.33921603 ChemAxon smiles CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H44O ChemAxon inchi InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24?,25?,26?,27-,28+/m0/s1 ChemAxon inchikey DNVPQKQSNYMLRS-KQYMERMZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 127.13 ChemAxon polarizability 49.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25730 Specdb::CMs 37820 Specdb::MsMs 1238 Specdb::MsMs 1239 Specdb::MsMs 1240 Specdb::MsMs 241399 Specdb::MsMs 241400 Specdb::MsMs 241401 Specdb::MsMs 243454 Specdb::MsMs 243455 Specdb::MsMs 243456 C02470 5497 FDB022297 5699 10072 XANTHURENATE Xanthurenic_acid 5841 He, Xiuping; Zhang, Borun; Tan, Huarong. Overexpression of a sterol C-24(28) reductase increases ergosterol production in Saccharomyces cerevisiae. Biotechnology Letters (2003), 25(10), 773-778.