1.0 2010-04-08 22:12:28 UTC 2019-11-26 03:13:21 UTC FDB016502 (S)-Cajaflavanone Constituent of Cajanus cajan (pigeon pea). (S)-Cajaflavanone is found in pigeon pea and pulses. C25H26O5 406.4709 406.178023942 8-hydroxy-4-(4-hydroxyphenyl)-12,12-dimethyl-9-(3-methylbut-2-en-1-yl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-6-one cajaflavanone 68236-12-4 CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C2=C1OC(C)(C)C=C2 InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3 TXWYWZHIUMRYOS-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 6-position. 6-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranoflavonoids Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 4'-hydroxyflavonoid 5-hydroxyflavonoid 6-prenylated flavanone Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyranochromene Pyranoflavonoid Vinylogous acid Flavanones logp 4.66 ALOGPS logs -5.04 ALOGPS solubility 3.70e-03 g/l ALOGPS melting_point Mp 129-130° (122-124°) logp 5.77 ChemAxon pka_strongest_acidic 9.34 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 8-hydroxy-4-(4-hydroxyphenyl)-12,12-dimethyl-9-(3-methylbut-2-en-1-yl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-6-one ChemAxon average_mass 406.4709 ChemAxon mono_mass 406.178023942 ChemAxon smiles CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=C(O)C=C2)C2=C1OC(C)(C)C=C2 ChemAxon formula C25H26O5 ChemAxon inchi InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3 ChemAxon inchikey TXWYWZHIUMRYOS-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 117.95 ChemAxon polarizability 45.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9976 Specdb::CMs 45389 Specdb::CMs 154826 Specdb::MsMs 58230 Specdb::MsMs 58231 Specdb::MsMs 58232 Specdb::MsMs 114123 Specdb::MsMs 114124 Specdb::MsMs 114125 Specdb::MsMs 2348966 Specdb::MsMs 2348967 Specdb::MsMs 2348968 Specdb::MsMs 2586634 Specdb::MsMs 2586635 Specdb::MsMs 2586636 HMDB37444 #<Reference:0x000055ce31e452f0> Pigeon pea Type 1 specific Cajanus cajan 3821 Pulses Unknown generic