1.0 2010-04-08 22:14:56 UTC 2019-11-26 03:18:44 UTC FDB020301 Artomunoxanthentrione epoxide Isolated from the root bark of Artocarpus communis (breadfruit). Artomunoxanthentrione epoxide is found in fruits. Artomunoxanthentrione epoxide C26H22O8 462.4481 462.13146768 12-hydroxy-20-methoxy-8,8-dimethyl-17-(prop-1-en-2-yl)-3,9,23-trioxahexacyclo[13.7.1.0¹,¹⁸.0²,¹⁵.0⁴,¹³.0⁵,¹⁰]tricosa-4(13),5(10),6,11,16,20-hexaene-14,19,22-trione 12-hydroxy-20-methoxy-8,8-dimethyl-17-(prop-1-en-2-yl)-3,9,23-trioxahexacyclo[13.7.1.0¹,¹⁸.0²,¹⁵.0⁴,¹³.0⁵,¹⁰]tricosa-4(13),5(10),6,11,16,20-hexaene-14,19,22-trione 143522-33-2 COC1=CC(=O)C23OC4(C=C(C2C1=O)C(C)=C)C3OC1=C(C(O)=CC2=C1C=CC(C)(C)O2)C4=O InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3 NDLOJOBMSNOREU-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 alkyl ketones Chromones Cyclohexenones Dialkyl ethers Hydrocarbon derivatives Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxetanes Pyranochromenes Pyrans Vinylogous acids Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Carbonyl group Chromone Cyclohexenone Dialkyl ether Ether Hydrocarbon derivative Ketone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxetane Pyran Pyranochromene Pyranoxanthone Vinylogous acid Vinylogous ester logp 3.39 ALOGPS logs -4.27 ALOGPS solubility 2.46e-02 g/l ALOGPS melting_point Mp 248-251° logp 3.53 ChemAxon pka_strongest_acidic 9.88 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 12-hydroxy-20-methoxy-8,8-dimethyl-17-(prop-1-en-2-yl)-3,9,23-trioxahexacyclo[13.7.1.0¹,¹⁸.0²,¹⁵.0⁴,¹³.0⁵,¹⁰]tricosa-4(13),5(10),6,11,16,20-hexaene-14,19,22-trione ChemAxon average_mass 462.4481 ChemAxon mono_mass 462.13146768 ChemAxon smiles COC1=CC(=O)C23OC4(C=C(C2C1=O)C(C)=C)C3OC1=C(C(O)=CC2=C1C=CC(C)(C)O2)C4=O ChemAxon formula C26H22O8 ChemAxon inchi InChI=1S/C26H22O8/c1-11(2)13-10-25-22(30)18-14(27)8-15-12(6-7-24(3,4)33-15)21(18)32-23(25)26(34-25)17(28)9-16(31-5)20(29)19(13)26/h6-10,19,23,27H,1H2,2-5H3 ChemAxon inchikey NDLOJOBMSNOREU-UHFFFAOYSA-N ChemAxon polar_surface_area 108.36 ChemAxon refractivity 122.53 ChemAxon polarizability 47.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18461 Specdb::CMs 46818 Specdb::CMs 150690 Specdb::MsMs 306937 Specdb::MsMs 306938 Specdb::MsMs 306939 Specdb::MsMs 350743 Specdb::MsMs 350744 Specdb::MsMs 350745 Specdb::MsMs 2708501 Specdb::MsMs 2708502 Specdb::MsMs 2708503 Specdb::MsMs 2999908 Specdb::MsMs 2999909 Specdb::MsMs 2999910 HMDB40533 #<Reference:0x000055ce317b8f68> Fruits Unknown generic