1.0 2010-04-08 22:15:03 UTC 2019-11-26 03:18:58 UTC FDB020472 Artonin J Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Artonin J is found in jackfruit and fruits. C25H24O7 436.4539 436.152203122 6,8,17,19-tetrahydroxy-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 6,8,17,19-tetrahydroxy-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 148719-51-1 CC(C)=CCC1=C(O)C2=C3C(CC4=C2OC2=CC(O)=CC(O)=C2C4=O)C(C)(C)OC3=C1O InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3 WQIPFMCXBWXUAV-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 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 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 4.07 ALOGPS logs -4.61 ALOGPS solubility 1.07e-02 g/l ALOGPS melting_point Mp 281-282° logp 4.56 ChemAxon pka_strongest_acidic -8.2 ChemAxon pka_strongest_basic 13.93 ChemAxon iupac 6,8,17,19-tetrahydroxy-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 436.4539 ChemAxon mono_mass 436.152203122 ChemAxon smiles CC(C)=CCC1=C(O)C2=C3C(CC4=C2OC2=CC(O)=CC(O)=C2C4=O)C(C)(C)OC3=C1O ChemAxon formula C25H24O7 ChemAxon inchi InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3 ChemAxon inchikey WQIPFMCXBWXUAV-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 120.39 ChemAxon polarizability 46.88 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11141 Specdb::MsMs 11142 Specdb::MsMs 11143 Specdb::MsMs 17813 Specdb::MsMs 17814 Specdb::MsMs 17815 Specdb::MsMs 2311490 Specdb::MsMs 2311491 Specdb::MsMs 2311492 Specdb::MsMs 2650310 Specdb::MsMs 2650311 Specdb::MsMs 2650312 Specdb::CMs 25387 Specdb::CMs 46895 Specdb::CMs 147338 HMDB40675 #<Reference:0x000055ce32c2caa8> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489