1.0 2010-04-08 22:09:33 UTC 2019-11-26 03:04:44 UTC FDB011256 Grevilline B Pigment from Suillus grevillei (larch bolete) Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. Grevilline B is found in mushrooms. Adriamycin, trifluoroacetyl-, 14-valerate Antibiotic AD 32 Grevilline B N-Trifluoroacetyladriamycin 14-valerate N-Trifluoroacetyladriamycin-14-valerate N-Trifluoroacetyldoxorubicin 14-valerate Trifluoroacetyladriamycin-14-valerate Valrubicin Valrubicin (usp/inn) Valrubicin [usan] Valstar Valstar (TN) Valstar preservative free C18H12O7 340.2837 340.058302738 (6E)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-2H-pyran-2,5-dione (6E)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxy-4-(4-hydroxyphenyl)pyran-2,5-dione 41744-33-6 OC1=CC=C(C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O InChI=1S/C18H12O7/c19-11-4-2-10(3-5-11)15-16(22)14(25-18(24)17(15)23)8-9-1-6-12(20)13(21)7-9/h1-8,19-21,23H/b14-8+ MCSQVSPITLWUGY-RIYZIHGNSA-N belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Catechols Organic compounds Benzenoids Phenols Benzenediols Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Cyclic ketones Dihydropyranones Enoate esters Enol esters Enols Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Cyclic ketone Dihydropyranone Enoate ester Enol Enol ester Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Vinylogous acid logp 2.44 ALOGPS logs -3.96 ALOGPS solubility 3.73e-02 g/l ALOGPS logp 2.74 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6E)-6-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-2H-pyran-2,5-dione ChemAxon average_mass 340.2837 ChemAxon mono_mass 340.058302738 ChemAxon smiles OC1=CC=C(C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O ChemAxon formula C18H12O7 ChemAxon inchi InChI=1S/C18H12O7/c19-11-4-2-10(3-5-11)15-16(22)14(25-18(24)17(15)23)8-9-1-6-12(20)13(21)7-9/h1-8,19-21,23H/b14-8+ ChemAxon inchikey MCSQVSPITLWUGY-RIYZIHGNSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 89.41 ChemAxon polarizability 32.53 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9595 Specdb::CMs 43168 Specdb::CMs 136858 Specdb::CMs 144592 Specdb::MsMs 69924 Specdb::MsMs 69925 Specdb::MsMs 69926 Specdb::MsMs 128310 Specdb::MsMs 128311 Specdb::MsMs 128312 Specdb::MsMs 2771375 Specdb::MsMs 2771376 Specdb::MsMs 2771377 Specdb::MsMs 2908074 Specdb::MsMs 2908075 Specdb::MsMs 2908076 HMDB33240 #<Reference:0x000055ce32431ad8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322