1.0 2010-04-08 22:09:49 UTC 2019-11-26 03:05:23 UTC FDB011769 KB 2 Constituent of Artocarpus communis (breadfruit). KB 2 is found in breadfruit and fruits. 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone KB 2 KB-2 Omannan Omannan backbone Phosphomannan Phosphomannan backbone C25H26O8 454.4691 454.162767808 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one 133740-64-4 CC(C)(O)CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3 HENAAGIOPZLIKO-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3-position. 3-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyquinols and derivatives Organic oxides Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids Pyranones and derivatives Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3'-hydroxyflavonoid 3-prenylated flavone 4'-hydroxyflavonoid 5-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Hydroxyquinol derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranochromene Pyranoflavonoid Pyranone Tertiary alcohol Vinylogous acid Flavones and Flavonols logp 3.61 ALOGPS logs -4.66 ALOGPS solubility 1.00e-02 g/l ALOGPS melting_point Mp 166-168° logp 3.85 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one ChemAxon average_mass 454.4691 ChemAxon mono_mass 454.162767808 ChemAxon smiles CC(C)(O)CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O ChemAxon formula C25H26O8 ChemAxon inchi InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3 ChemAxon inchikey HENAAGIOPZLIKO-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 123.83 ChemAxon polarizability 47.7 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19154 Specdb::CMs 43426 Specdb::CMs 158385 Specdb::MsMs 109101 Specdb::MsMs 109102 Specdb::MsMs 109103 Specdb::MsMs 176487 Specdb::MsMs 176488 Specdb::MsMs 176489 Specdb::MsMs 2270665 Specdb::MsMs 2270666 Specdb::MsMs 2270667 Specdb::MsMs 3068108 Specdb::MsMs 3068109 Specdb::MsMs 3068110 HMDB33666 #<Reference:0x000055ce32c9b818> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic