1.0 2010-04-08 22:09:56 UTC 2019-11-26 03:05:52 UTC FDB011980 alpha-Guttiferin Constituent of Gamboge the resinous exudation of Garcinia morella (batuan). alpha-Guttiferin is found in herbs and spices and fruits. C27H34O6 454.563 454.235538815 7-hydroxy-8-[6-(1-hydroxyethyl)-5-methylcyclohex-1-ene-1-carbonyl]-5-methoxy-3,4-dimethyl-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one 7-hydroxy-8-[6-(1-hydroxyethyl)-5-methylcyclohex-1-ene-1-carbonyl]-5-methoxy-3,4-dimethyl-6-(3-methylbut-2-en-1-yl)chromen-2-one 11048-92-3 COC1=C(CC=C(C)C)C(O)=C(C(=O)C2=CCCC(C)C2C(C)O)C2=C1C(C)=C(C)C(=O)O2 InChI=1S/C27H34O6/c1-13(2)11-12-19-24(30)22(23(29)18-10-8-9-14(3)20(18)17(6)28)26-21(25(19)32-7)15(4)16(5)27(31)33-26/h10-11,14,17,20,28,30H,8-9,12H2,1-7H3 DMYAAHDGSITLHJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. 7-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Aryl ketones Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 7-hydroxycoumarin Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol Vinylogous acid logp 4.49 ALOGPS logs -5.12 ALOGPS solubility 3.48e-03 g/l ALOGPS melting_point Mp 113-115° logp 5.55 ChemAxon pka_strongest_acidic 5.45 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 7-hydroxy-8-[6-(1-hydroxyethyl)-5-methylcyclohex-1-ene-1-carbonyl]-5-methoxy-3,4-dimethyl-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one ChemAxon average_mass 454.563 ChemAxon mono_mass 454.235538815 ChemAxon smiles COC1=C(CC=C(C)C)C(O)=C(C(=O)C2=CCCC(C)C2C(C)O)C2=C1C(C)=C(C)C(=O)O2 ChemAxon formula C27H34O6 ChemAxon inchi InChI=1S/C27H34O6/c1-13(2)11-12-19-24(30)22(23(29)18-10-8-9-14(3)20(18)17(6)28)26-21(25(19)32-7)15(4)16(5)27(31)33-26/h10-11,14,17,20,28,30H,8-9,12H2,1-7H3 ChemAxon inchikey DMYAAHDGSITLHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 130.72 ChemAxon polarizability 49.63 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72909 Specdb::MsMs 72910 Specdb::MsMs 72911 Specdb::MsMs 131955 Specdb::MsMs 131956 Specdb::MsMs 131957 Specdb::MsMs 3605287 Specdb::MsMs 3605288 Specdb::MsMs 3605289 Specdb::MsMs 3606173 Specdb::MsMs 3606174 Specdb::MsMs 3606175 Fruits Unknown generic Herbs and Spices Unknown generic