1.0 2010-04-08 22:04:51 UTC 2020-02-24 19:10:19 UTC FDB001155 Artonin T Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin T is found in jackfruit and fruits. 5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one Artonin T C26H26O7 450.4804 450.167853186 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-18-(3-methylbut-2-en-1-yl)-3,15-dioxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-18-(3-methylbut-2-en-1-yl)-3,15-dioxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one 161017-03-4 COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C2C(C3)C(C)(C)OC2=C(O)C(CC=C(C)C)=C1O InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3 WGHQJSXSGKUCQL-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Chromones Coumarans Heteroaromatic compounds Hydrocarbon derivatives Naphthols and derivatives Naphthopyranones Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Coumaran Ether Heteroaromatic compound Hydrocarbon derivative Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Vinylogous acid Xanthone Flavones and Flavonols logp 4.66 ALOGPS logs -4.46 ALOGPS solubility 1.57e-02 g/l ALOGPS melting_point Mp 252° logp 4.71 ChemAxon pka_strongest_acidic -8.2 ChemAxon pka_strongest_basic 10.7 ChemAxon iupac 8,17,19-trihydroxy-6-methoxy-14,14-dimethyl-18-(3-methylbut-2-en-1-yl)-3,15-dioxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one ChemAxon average_mass 450.4804 ChemAxon mono_mass 450.167853186 ChemAxon smiles COC1=CC(O)=C2C(=O)C3=C(OC2=C1)C1=C2C(C3)C(C)(C)OC2=C(O)C(CC=C(C)C)=C1O ChemAxon formula C26H26O7 ChemAxon inchi InChI=1S/C26H26O7/c1-11(2)6-7-13-21(28)20-18-15(26(3,4)33-25(18)23(13)30)10-14-22(29)19-16(27)8-12(31-5)9-17(19)32-24(14)20/h6,8-9,15,27-28,30H,7,10H2,1-5H3 ChemAxon inchikey WGHQJSXSGKUCQL-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 124.88 ChemAxon polarizability 49 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23333 Specdb::CMs 41628 Specdb::CMs 169101 Specdb::MsMs 43488 Specdb::MsMs 43489 Specdb::MsMs 43490 Specdb::MsMs 129810 Specdb::MsMs 129811 Specdb::MsMs 129812 Specdb::MsMs 2262955 Specdb::MsMs 2262956 Specdb::MsMs 2262957 Specdb::MsMs 3078642 Specdb::MsMs 3078643 Specdb::MsMs 3078644 HMDB29905 #<Reference:0x000055ce31987768> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489