1.0 2010-04-08 22:08:10 UTC 2020-02-24 19:10:56 UTC FDB008610 1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone Constituent of Artocarpus communis (breadfruit). 1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone is found in breadfruit and fruits. 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone C25H28O5 408.4868 408.193674006 1-(2,4-dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-2H-chromen-5-yl]propan-1-one 1-(2,4-dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-5-yl]propan-1-one 116207-29-5 CC(C)=CCCC1(C)OC2=C(O)C=CC(CCC(=O)C3=C(O)C=C(O)C=C3)=C2C=C1 InChI=1S/C25H28O5/c1-16(2)5-4-13-25(3)14-12-19-17(7-11-22(28)24(19)30-25)6-10-21(27)20-9-8-18(26)15-23(20)29/h5,7-9,11-12,14-15,26,28-29H,4,6,10,13H2,1-3H3 NZEMOONSVTXJCP-UHFFFAOYSA-N belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxy-dihydrochalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Butyrophenones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxy-dihydrochalcone Alkyl aryl ether Alkyl-phenylketone Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Benzoyl Butyrophenone Ether Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenylketone Resorcinol Vinylogous acid Chalcones and dihydrochalcones logp 4.73 ALOGPS logs -5.17 ALOGPS solubility 2.75e-03 g/l ALOGPS logp 6.19 ChemAxon pka_strongest_acidic 7.88 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-(2,4-dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-2H-chromen-5-yl]propan-1-one ChemAxon average_mass 408.4868 ChemAxon mono_mass 408.193674006 ChemAxon smiles CC(C)=CCCC1(C)OC2=C(O)C=CC(CCC(=O)C3=C(O)C=C(O)C=C3)=C2C=C1 ChemAxon formula C25H28O5 ChemAxon inchi InChI=1S/C25H28O5/c1-16(2)5-4-13-25(3)14-12-19-17(7-11-22(28)24(19)30-25)6-10-21(27)20-9-8-18(26)15-23(20)29/h5,7-9,11-12,14-15,26,28-29H,4,6,10,13H2,1-3H3 ChemAxon inchikey NZEMOONSVTXJCP-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 119.85 ChemAxon polarizability 45.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15923 Specdb::CMs 42663 Specdb::CMs 172422 Specdb::MsMs 70917 Specdb::MsMs 70918 Specdb::MsMs 70919 Specdb::MsMs 129489 Specdb::MsMs 129490 Specdb::MsMs 129491 Specdb::MsMs 2390029 Specdb::MsMs 2390030 Specdb::MsMs 2390031 Specdb::MsMs 2575977 Specdb::MsMs 2575978 Specdb::MsMs 2575979 HMDB31922 #<Reference:0x000055ce30341878> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic