1.0 2010-04-08 22:15:24 UTC 2019-11-26 03:19:45 UTC FDB021006 Artonin Q Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin Q is found in fruits. C31H30O8 530.5651 530.194067936 methyl 7,14-dihydroxy-18,18-dimethyl-21-(3-methylbut-2-en-1-yl)-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),3(11),4(8),9,14,16,20-heptaene-7-carboxylate methyl 7,14-dihydroxy-18,18-dimethyl-21-(3-methylbut-2-en-1-yl)-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),3(11),4(8),9,14,16,20-heptaene-7-carboxylate 161017-00-1 COC(=O)C1(O)CC(=O)C2=C1C(=CC1=C2OC2=C(C(O)=C3C=CC(C)(C)OC3=C2CC=C(C)C)C1=O)C(C)=C InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3 RYPVESRWZADKJR-UHFFFAOYSA-N belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 4-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl alkyl ketones Chromones Heteroaromatic compounds Hydrocarbon derivatives Indanones Methyl esters Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Pyranoxanthones Styrenes Tertiary alcohols Vinylogous acids 2,2-dimethyl-1-benzopyran 4-prenylated xanthone Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Ether Heteroaromatic compound Hydrocarbon derivative Indane Indanone Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Styrene Tertiary alcohol Vinylogous acid logp 3.99 ALOGPS logs -5.26 ALOGPS solubility 2.91e-03 g/l ALOGPS melting_point Mp 57-59° logp 5.61 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac methyl 7,14-dihydroxy-18,18-dimethyl-21-(3-methylbut-2-en-1-yl)-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),3(11),4(8),9,14,16,20-heptaene-7-carboxylate ChemAxon average_mass 530.5651 ChemAxon mono_mass 530.194067936 ChemAxon smiles COC(=O)C1(O)CC(=O)C2=C1C(=CC1=C2OC2=C(C(O)=C3C=CC(C)(C)OC3=C2CC=C(C)C)C1=O)C(C)=C ChemAxon formula C31H30O8 ChemAxon inchi InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3 ChemAxon inchikey RYPVESRWZADKJR-UHFFFAOYSA-N ChemAxon polar_surface_area 119.36 ChemAxon refractivity 147.32 ChemAxon polarizability 57.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11934 Specdb::CMs 47131 Specdb::CMs 199557 Specdb::CMs 199559 Specdb::CMs 199561 Specdb::CMs 199563 Specdb::CMs 199565 Specdb::CMs 281071 Specdb::MsMs 292276 Specdb::MsMs 292277 Specdb::MsMs 292278 Specdb::MsMs 332431 Specdb::MsMs 332432 Specdb::MsMs 332433 Specdb::MsMs 2300079 Specdb::MsMs 2300080 Specdb::MsMs 2300081 Specdb::MsMs 2638861 Specdb::MsMs 2638862 Specdb::MsMs 2638863 HMDB41124 #<Reference:0x000055ce316e19f0> Fruits Unknown generic