1.0 2010-04-08 22:13:38 UTC 2019-11-26 03:16:01 UTC FDB018324 Cycloartomunin Isolated from the root bark of Artocarpus communis (breadfruit). Cycloartomunin is found in breadfruit and fruits. 3-(9H-Fluoren-9-yl(hydroxy)methyl)dihydro-2(3H)-furanone 6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one 6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 9CI C26H24O7 448.4646 448.152203122 11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-2,8,16-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one 11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-2,8,16-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one 135023-19-7 COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(C(O)=CC4=C2C=CC(C)(C)O4)C3=O)=C1 InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3 WQSBCGFYYIWXHK-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 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 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 Pyran Pyranochromene Pyranoflavonoid Pyranone Vinylogous acid Flavones and Flavonols logp 3.91 ALOGPS logs -4.86 ALOGPS solubility 6.25e-03 g/l ALOGPS melting_point Mp 278-280° logp 4.65 ChemAxon pka_strongest_acidic 8.71 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-2,8,16-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one ChemAxon average_mass 448.4646 ChemAxon mono_mass 448.152203122 ChemAxon smiles COC1=C(O)C=C2C(OC(C=C(C)C)C3=C2OC2=C(C(O)=CC4=C2C=CC(C)(C)O4)C3=O)=C1 ChemAxon formula C26H24O7 ChemAxon inchi InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3 ChemAxon inchikey WQSBCGFYYIWXHK-UHFFFAOYSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 124.91 ChemAxon polarizability 48.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24281 Specdb::CMs 46122 Specdb::CMs 173609 Specdb::MsMs 11048 Specdb::MsMs 11049 Specdb::MsMs 11050 Specdb::MsMs 17720 Specdb::MsMs 17721 Specdb::MsMs 17722 Specdb::MsMs 2346746 Specdb::MsMs 2346747 Specdb::MsMs 2346748 Specdb::MsMs 2591542 Specdb::MsMs 2591543 Specdb::MsMs 2591544 HMDB38878 #<Reference:0x000055ce30be7e28> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic