1.0 2010-04-08 22:12:49 UTC 2019-11-26 03:14:09 UTC FDB017069 Artomunoxanthentrione Constituent of Artocarpus communis (breadfruit). Artomunoxanthentrione is found in breadfruit and fruits. 6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione C26H20O7 444.4328 444.120902994 11-hydroxy-19-methoxy-7,7-dimethyl-16-(prop-1-en-2-yl)-2,8-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione artomunoxanthentrione 139921-73-6 COC1=CC(=O)C2=C3OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C(=O)C3=CC(C(C)=C)=C2C1=O InChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3 HYOUKKTWDGSFHB-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Pyranoxanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl ketones Chromones Heteroaromatic compounds Hydrocarbon derivatives Naphthopyranones Naphthoquinones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Quinones Styrenes Vinylogous acids Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Aryl ketone Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Ketone Naphthalene Naphthopyran Naphthopyranone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Quinone Styrene Vinylogous acid Vinylogous ester Flavones and Flavonols logp 3.59 ALOGPS logs -5.14 ALOGPS solubility 3.25e-03 g/l ALOGPS melting_point Mp 230-232° logp 4.36 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 11-hydroxy-19-methoxy-7,7-dimethyl-16-(prop-1-en-2-yl)-2,8-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione ChemAxon average_mass 444.4328 ChemAxon mono_mass 444.120902994 ChemAxon smiles COC1=CC(=O)C2=C3OC4=C(C(O)=CC5=C4C=CC(C)(C)O5)C(=O)C3=CC(C(C)=C)=C2C1=O ChemAxon formula C26H20O7 ChemAxon inchi InChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3 ChemAxon inchikey HYOUKKTWDGSFHB-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 124 ChemAxon polarizability 46.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21557 Specdb::CMs 45585 Specdb::CMs 168640 Specdb::MsMs 52533 Specdb::MsMs 52534 Specdb::MsMs 52535 Specdb::MsMs 138870 Specdb::MsMs 138871 Specdb::MsMs 138872 Specdb::MsMs 2400609 Specdb::MsMs 2400610 Specdb::MsMs 2400611 Specdb::MsMs 2537687 Specdb::MsMs 2537688 Specdb::MsMs 2537689 HMDB37913 #<Reference:0x000055ce325eb338> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic