1.0 2010-04-08 22:05:25 UTC 2020-02-24 19:10:32 UTC FDB002566 Demethylcalabaxanthone Constituent of Garcinia mangostana (mangosteen). Demethylcalabaxanthone is found in fruits and purple mangosteen. Demethylcalabaxanthone C23H22O5 378.4178 378.146723814 5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,6-dihydro-1,11-dioxatetracen-6-one 5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-1,11-dioxatetracen-6-one 106897-03-4 CC(C)=CCC1=C(O)C=CC2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3 SDKLJUCURHMDBQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 8-prenylated xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Pyranoxanthones Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 8-prenylated xanthone Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Pyranoxanthone Vinylogous acid logp 4.93 ALOGPS logs -4.94 ALOGPS solubility 4.38e-03 g/l ALOGPS melting_point Mp 85° logp 5.63 ChemAxon pka_strongest_acidic 8.79 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,6-dihydro-1,11-dioxatetracen-6-one ChemAxon average_mass 378.4178 ChemAxon mono_mass 378.146723814 ChemAxon smiles CC(C)=CCC1=C(O)C=CC2=C1C(=O)C1=C(O2)C=C2OC(C)(C)C=CC2=C1O ChemAxon formula C23H22O5 ChemAxon inchi InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3 ChemAxon inchikey SDKLJUCURHMDBQ-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 109.41 ChemAxon polarizability 41.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10248 Specdb::CMs 42063 Specdb::CMs 135628 Specdb::CMs 143362 Specdb::MsMs 7028 Specdb::MsMs 7029 Specdb::MsMs 7030 Specdb::MsMs 13700 Specdb::MsMs 13701 Specdb::MsMs 13702 Specdb::MsMs 2442724 Specdb::MsMs 2442725 Specdb::MsMs 2442726 Specdb::MsMs 2519226 Specdb::MsMs 2519227 Specdb::MsMs 2519228 HMDB30656 #<Reference:0x000055ce328124e0> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228