1.0 2010-04-08 22:09:29 UTC 2019-11-26 03:04:37 UTC FDB011152 Artocarpetin B Constituent of Artocarpus heterophyllus (jackfruit). Artocarpetin B is found in jackfruit and fruits. 4',5-Dihydroxy-2',7-dimethoxy-8-prenylflavone 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one Artocarpetin B C22H22O6 382.4065 382.141638436 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one artocarpetin B 170894-22-1 COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C=C(O2)C1=C(OC)C=C(O)C=C1 InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h5-6,8-11,23-24H,7H2,1-4H3 AGQBGLZQKDLJAR-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 8-position. 8-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton 8-prenylated flavone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.86 ALOGPS logs -4.52 ALOGPS solubility 1.15e-02 g/l ALOGPS melting_point Mp 253-257° logp 4.42 ChemAxon pka_strongest_acidic 8.34 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 382.4065 ChemAxon mono_mass 382.141638436 ChemAxon smiles COC1=C(CC=C(C)C)C2=C(C(O)=C1)C(=O)C=C(O2)C1=C(OC)C=C(O)C=C1 ChemAxon formula C22H22O6 ChemAxon inchi InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h5-6,8-11,23-24H,7H2,1-4H3 ChemAxon inchikey AGQBGLZQKDLJAR-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 108.1 ChemAxon polarizability 40.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48723 Specdb::MsMs 48724 Specdb::MsMs 48725 Specdb::MsMs 167097 Specdb::MsMs 167098 Specdb::MsMs 167099 Specdb::MsMs 2468039 Specdb::MsMs 2468040 Specdb::MsMs 2497595 Specdb::MsMs 2497596 Specdb::MsMs 2497597 Specdb::CMs 10589 Specdb::CMs 43118 Specdb::CMs 148335 HMDB33148 #<Reference:0x000055ce326a5530> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489