1.0 2010-04-08 22:09:36 UTC 2019-11-26 03:04:51 UTC FDB011359 Garcinone D From Garcinia mangostana (mangosteen). Garcinone D is found in fruits and purple mangosteen. Garcinone D C24H28O7 428.4749 428.18350325 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one garcinone D 107390-08-9 COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CCC(C)(C)O InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3 TYALNCRUIKOKGP-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-prenylated xanthones Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Tertiary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-prenylated xanthone 8-prenylated xanthone Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Pyran Pyranone Tertiary alcohol Vinylogous acid logp 3.77 ALOGPS logs -4.72 ALOGPS solubility 8.23e-03 g/l ALOGPS melting_point Mp 202-204° logp 4.93 ChemAxon pka_strongest_acidic 7.28 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one ChemAxon average_mass 428.4749 ChemAxon mono_mass 428.18350325 ChemAxon smiles COC1=C(O)C=C2OC3=C(C(O)=C(CC=C(C)C)C(O)=C3)C(=O)C2=C1CCC(C)(C)O ChemAxon formula C24H28O7 ChemAxon inchi InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3 ChemAxon inchikey TYALNCRUIKOKGP-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 118.69 ChemAxon polarizability 46.87 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24254 Specdb::CMs 43242 Specdb::CMs 161899 Specdb::MsMs 43131 Specdb::MsMs 43132 Specdb::MsMs 43133 Specdb::MsMs 141099 Specdb::MsMs 141100 Specdb::MsMs 141101 Specdb::MsMs 2460781 Specdb::MsMs 2460782 Specdb::MsMs 2460783 Specdb::MsMs 2478638 Specdb::MsMs 2478639 Specdb::MsMs 2478640 HMDB33332 #<Reference:0x000055ce32bd5ed8> Fruits Unknown generic Purple mangosteen Type 1 specific Garcinia mangostana 58228