1.0 2010-04-08 22:12:09 UTC 2019-11-26 03:12:28 UTC FDB015953 Atrovirinone Constituent of the roots of Garcinia atroviridis (gelugor). Atrovirinone is found in fruits. C25H28O8 456.485 456.178417872 methyl 2,4-dihydroxy-6-{[2-methoxy-4,5-bis(3-methylbut-2-en-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxy}benzoate methyl 2,4-dihydroxy-6-{[2-methoxy-4,5-bis(3-methylbut-2-en-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxy}benzoate COC(=O)C1=C(OC2=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C2=O)C=C(O)C=C1O InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 AATISISCRVORPT-UHFFFAOYSA-N belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). Ubiquinones Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic monoterpenoids Benzoyl derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides P-benzoquinones Phenoxy compounds Resorcinols Salicylic acid and derivatives Vinylogous acids Vinylogous esters o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Dihydroxybenzoic acid Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-benzoquinone P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenoxy compound Quinone Resorcinol Salicylic acid or derivatives Ubiquinone skeleton Vinylogous acid Vinylogous ester logp 3.59 ALOGPS logs -4.95 ALOGPS solubility 5.14e-03 g/l ALOGPS melting_point Mp 124-125° logp 5.17 ChemAxon pka_strongest_acidic 8.15 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac methyl 2,4-dihydroxy-6-{[2-methoxy-4,5-bis(3-methylbut-2-en-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]oxy}benzoate ChemAxon average_mass 456.485 ChemAxon mono_mass 456.178417872 ChemAxon smiles COC(=O)C1=C(OC2=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C2=O)C=C(O)C=C1O ChemAxon formula C25H28O8 ChemAxon inchi InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 ChemAxon inchikey AATISISCRVORPT-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 127.08 ChemAxon polarizability 47.89 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10699 Specdb::CMs 45156 Specdb::CMs 151921 Specdb::MsMs 68523 Specdb::MsMs 68524 Specdb::MsMs 68525 Specdb::MsMs 126576 Specdb::MsMs 126577 Specdb::MsMs 126578 Specdb::MsMs 2727161 Specdb::MsMs 2727162 Specdb::MsMs 2727163 Specdb::MsMs 2977844 Specdb::MsMs 2977845 Specdb::MsMs 2977846 HMDB36981 #<Reference:0x000055ce30548e28> #<Reference:0x000055ce30548c70> Fruits Unknown generic