1.0 2010-04-08 22:05:20 UTC 2020-02-24 19:10:29 UTC FDB002357 Artonol B Constituent of the bark of Artocarpus communis (breadfruit). Artonol B is found in breadfruit and fruits. C24H20O7 420.4114 420.120902994 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione 186824-58-8 CC(=O)C1=C2OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C(=O)C2=CC2=C1C(=O)OC2(C)C InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3 LWJBUOOKYYTUDX-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 Acetophenones Alkyl aryl ethers Aryl alkyl ketones Benzofuranones Carboxylic acid esters Chromones Heteroaromatic compounds Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phthalides Pyranochromenes Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Acetophenone Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzofuranone Carboxylic acid derivative Carboxylic acid ester Chromone Ether Heteroaromatic compound Hydrocarbon derivative Isobenzofuranone Isocoumaran Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid logp 3.72 ALOGPS logs -4.83 ALOGPS solubility 6.27e-03 g/l ALOGPS melting_point Mp 267-273° logp 4.02 ChemAxon pka_strongest_acidic 9.35 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione ChemAxon average_mass 420.4114 ChemAxon mono_mass 420.120902994 ChemAxon smiles CC(=O)C1=C2OC3=C(C(O)=CC4=C3C=CC(C)(C)O4)C(=O)C2=CC2=C1C(=O)OC2(C)C ChemAxon formula C24H20O7 ChemAxon inchi InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3 ChemAxon inchikey LWJBUOOKYYTUDX-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 113.23 ChemAxon polarizability 43.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16865 Specdb::CMs 41960 Specdb::CMs 134860 Specdb::CMs 142594 Specdb::MsMs 64488 Specdb::MsMs 64489 Specdb::MsMs 64490 Specdb::MsMs 121656 Specdb::MsMs 121657 Specdb::MsMs 121658 Specdb::MsMs 2809835 Specdb::MsMs 2809836 Specdb::MsMs 2809837 Specdb::MsMs 2899317 Specdb::MsMs 2899318 Specdb::MsMs 2899319 HMDB30488 #<Reference:0x000055ce3293fb60> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic