1.0 2010-04-08 22:15:10 UTC 2019-11-26 03:19:15 UTC FDB020657 Cycloaltilisin Constituent of Artocarpus altilis (breadfruit). Cycloaltilisin is found in breadfruit and fruits. (+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one Cycloaltilisin C26H26O7 450.4804 450.167853186 1,3,7-trihydroxy-8-methoxy-4-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-11,12-dihydro-5,10-dioxatetraphen-12-one cycloaltilisin 152130-62-6 COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(CC=C(C)C)C(O)=CC(O)=C2C3=O)=C1 InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3 RVJOJRVPGYKMQS-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. Pyranoflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pyran Pyranoflavonoid Pyranone Vinylogous acid Flavones and Flavonols logp 4.16 ALOGPS logs -4.60 ALOGPS solubility 1.13e-02 g/l ALOGPS melting_point Mp 186-188° logp 5.17 ChemAxon pka_strongest_acidic 6.39 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1,3,7-trihydroxy-8-methoxy-4-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-11,12-dihydro-5,10-dioxatetraphen-12-one ChemAxon average_mass 450.4804 ChemAxon mono_mass 450.167853186 ChemAxon smiles COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(CC=C(C)C)C(O)=CC(O)=C2C3=O)=C1 ChemAxon formula C26H26O7 ChemAxon inchi InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-20(31-5)17(28)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3 ChemAxon inchikey RVJOJRVPGYKMQS-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 126.74 ChemAxon polarizability 47.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21834 Specdb::CMs 46992 Specdb::CMs 166263 Specdb::MsMs 10082 Specdb::MsMs 10083 Specdb::MsMs 10084 Specdb::MsMs 16754 Specdb::MsMs 16755 Specdb::MsMs 16756 Specdb::MsMs 2442439 Specdb::MsMs 2442440 Specdb::MsMs 2442441 Specdb::MsMs 2520740 Specdb::MsMs 2520741 Specdb::MsMs 2520742 HMDB40835 #<Reference:0x000055ce306e8be8> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic