1.0 2010-04-08 22:14:45 UTC 2019-11-26 03:18:22 UTC FDB020040 (E)-2'-Geranyl-3',4',7-trihydroxyflavanone Constituent of Artocarpus communis (breadfruit). (E)-2'-Geranyl-3',4',7-trihydroxyflavanone is found in fruits. C25H28O5 408.4868 408.193674006 2-{2-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 2-{2-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one 113866-90-3 CC(C)=CCC\C(C)=C/CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2 InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-9-19-18(11-12-21(27)25(19)29)24-14-22(28)20-10-8-17(26)13-23(20)30-24/h5,7-8,10-13,24,26-27,29H,4,6,9,14H2,1-3H3/b16-7- RCYMAXCAVMNZBM-APSNUPSMSA-N belongs to the class of organic compounds known as 2'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 2'-position. 2'-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aromatic monoterpenoids Aryl alkyl ketones Benzene and substituted derivatives Bicyclic monoterpenoids Catechols Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-prenylated flavanone 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aromatic monoterpenoid Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Bicyclic monoterpenoid Catechol Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol logp 4.84 ALOGPS logs -5.11 ALOGPS solubility 3.14e-03 g/l ALOGPS logp 5.57 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-{2-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 408.4868 ChemAxon mono_mass 408.193674006 ChemAxon smiles CC(C)=CCC\C(C)=C/CC1=C(C=CC(O)=C1O)C1CC(=O)C2=C(O1)C=C(O)C=C2 ChemAxon formula C25H28O5 ChemAxon inchi InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-9-19-18(11-12-21(27)25(19)29)24-14-22(28)20-10-8-17(26)13-23(20)30-24/h5,7-8,10-13,24,26-27,29H,4,6,9,14H2,1-3H3/b16-7- ChemAxon inchikey RCYMAXCAVMNZBM-APSNUPSMSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 119.34 ChemAxon polarizability 45.31 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23786 Specdb::CMs 46735 Specdb::CMs 172334 Specdb::MsMs 318712 Specdb::MsMs 318713 Specdb::MsMs 318714 Specdb::MsMs 365587 Specdb::MsMs 365588 Specdb::MsMs 365589 Specdb::MsMs 2697537 Specdb::MsMs 2697538 Specdb::MsMs 2697539 Specdb::MsMs 2981948 Specdb::MsMs 2981949 Specdb::MsMs 2981950 HMDB40317 #<Reference:0x00007f093c165368> Fruits Unknown generic