1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:42 UTC FDB012400 Prunetin Occurs in several Prunus subspecies and Glycyrrhiza glabra (licorice). Prunetin is found in tea, herbs and spices, and sour cherry. 4',5-Dihydroxy-7-methoxygenistein 4',5-Dihydroxy-7-methoxyisoflavone 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 9CI 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one 5,4'-dihydroxy-7-methoxyisoflavone 7-O-Methyl-genistein Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI) Padmakastein Prunetin Prunusetin C16H12O5 284.267 284.068473486 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one prunetin 552-59-0 COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1 InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 KQMVAGISDHMXJJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. 7-O-methylisoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 7-o-methylisoflavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Isoflavonoids Isoflavonoids a small molecule hydroxyisoflavone isoflavones methoxyisoflavone logp 3.36 ALOGPS logs -3.69 ALOGPS solubility 5.86e-02 g/l ALOGPS melting_point Mp 246-248° logp 3.22 ChemAxon pka_strongest_acidic 7.32 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one ChemAxon average_mass 284.267 ChemAxon mono_mass 284.068473486 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1 ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 ChemAxon inchikey KQMVAGISDHMXJJ-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 76.17 ChemAxon polarizability 28.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5597 Specdb::CMs 32169 Specdb::CMs 43726 Specdb::CMs 101519 Specdb::CMs 136736 Specdb::CMs 144470 Specdb::MsMs 9788 Specdb::MsMs 9789 Specdb::MsMs 9790 Specdb::MsMs 16460 Specdb::MsMs 16461 Specdb::MsMs 16462 Specdb::MsMs 285635 Specdb::MsMs 285636 Specdb::MsMs 285637 Specdb::MsMs 285638 Specdb::MsMs 285639 Specdb::MsMs 373649 Specdb::MsMs 373650 Specdb::MsMs 373651 Specdb::MsMs 373652 Specdb::MsMs 373653 Specdb::MsMs 440202 Specdb::MsMs 440203 Specdb::MsMs 440204 Specdb::MsMs 440205 Specdb::MsMs 1479291 Specdb::MsMs 1479389 Specdb::MsMs 2236429 Specdb::MsMs 2236970 Specdb::MsMs 2238499 HMDB34127 8600 #<Reference:0x000055ce3068fa98> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Liquorice Type 2 specific Prunus (Cherry, Plum) Type 1 specific Prunus 3754 Red clover Type 1 Trifolium pratense Red tea Type 1 Sour cherry Type 1 specific Prunus cerasus 140311 Tea Type 1 specific Camellia sinensis 4442 bitter Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.