1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:22 UTC FDB020039 Blumeatin Constituent of Blumea balsamifera (sambong). Blumeatin is found in tea. 3',5,5'-Trihydroxy-7-methoxyflavanone Blumeatin C16H14O6 302.2788 302.07903818 2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one 118024-26-3 COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=CC(O)=C1 InChI=1S/C16H14O6/c1-21-11-5-12(19)16-13(20)7-14(22-15(16)6-11)8-2-9(17)4-10(18)3-8/h2-6,14,17-19H,7H2,1H3 YEYLMQKEGSQNGZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Vinylogous acid logp 2.50 ALOGPS logs -3.32 ALOGPS solubility 1.45e-01 g/l ALOGPS melting_point Mp 220-222° logp 2.68 ChemAxon pka_strongest_acidic 9.03 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 302.2788 ChemAxon mono_mass 302.07903818 ChemAxon smiles COC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC(O)=CC(O)=C1 ChemAxon formula C16H14O6 ChemAxon inchi InChI=1S/C16H14O6/c1-21-11-5-12(19)16-13(20)7-14(22-15(16)6-11)8-2-9(17)4-10(18)3-8/h2-6,14,17-19H,7H2,1H3 ChemAxon inchikey YEYLMQKEGSQNGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 77.75 ChemAxon polarizability 30.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312085 Specdb::MsMs 312086 Specdb::MsMs 312087 Specdb::MsMs 357247 Specdb::MsMs 357248 Specdb::MsMs 357249 Specdb::MsMs 2516715 Specdb::MsMs 2516716 Specdb::MsMs 2516717 Specdb::CMs 20693 Specdb::CMs 46734 Specdb::CMs 166080 HMDB40316 #<Reference:0x000055ce3345bf30> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442