1.0 2010-04-08 22:05:20 UTC 2020-02-24 19:10:29 UTC FDB002364 Artonol D Constituent of the bark of Artocarpus communis (breadfruit). Artonol D is found in breadfruit and fruits. 6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione Artonol D C30H26O7 498.5232 498.167853186 17-hydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione 17-hydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione 186824-60-2 CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3 BPBNMDXSLVPNFT-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 Chromones Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthopyranones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Carbonyl group Chromone Ether Heteroaromatic compound Hydrocarbon derivative Ketone Naphthalene Naphthopyran Naphthopyranone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid Vinylogous ester Flavones and Flavonols logp 4.32 ALOGPS logs -5.24 ALOGPS solubility 2.88e-03 g/l ALOGPS melting_point Mp 130° logp 4.87 ChemAxon pka_strongest_acidic 8.37 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 17-hydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione ChemAxon average_mass 498.5232 ChemAxon mono_mass 498.167853186 ChemAxon smiles CC(=C)C1CC2=C(OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C2=O)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O ChemAxon formula C30H26O7 ChemAxon inchi InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3 ChemAxon inchikey BPBNMDXSLVPNFT-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 141.98 ChemAxon polarizability 53.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20617 Specdb::CMs 41963 Specdb::CMs 175185 Specdb::MsMs 73866 Specdb::MsMs 73867 Specdb::MsMs 73868 Specdb::MsMs 133119 Specdb::MsMs 133120 Specdb::MsMs 133121 Specdb::MsMs 2344895 Specdb::MsMs 2344896 Specdb::MsMs 2344897 Specdb::MsMs 2591224 Specdb::MsMs 2591225 Specdb::MsMs 2591226 HMDB30495 #<Reference:0x000055ce32bd52a8> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic