1.0 2010-04-08 22:10:00 UTC 2019-11-26 03:06:13 UTC FDB012112 Aegelinol obtained from Aegle marmelos (bael fruit). Aegelinol is found in fruits. Aegelinol C14H14O4 246.2586 246.089208936 12-hydroxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,6,8-tetraen-5-one 12-hydroxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,6,8-tetraen-5-one 21860-31-1 CC1(C)OC2=C(CC1O)C=C1C=CC(=O)OC1=C2 InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3 BGXFQDFSVDZUIW-UHFFFAOYSA-N belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Linear pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Secondary alcohols 1-benzopyran 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Heteroaromatic compound Hydrocarbon derivative Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Secondary alcohol logp 2.11 ALOGPS logs -2.68 ALOGPS solubility 5.12e-01 g/l ALOGPS melting_point Mp 181.5° logp 1.73 ChemAxon pka_strongest_acidic 13.82 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 12-hydroxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,6,8-tetraen-5-one ChemAxon average_mass 246.2586 ChemAxon mono_mass 246.089208936 ChemAxon smiles CC1(C)OC2=C(CC1O)C=C1C=CC(=O)OC1=C2 ChemAxon formula C14H14O4 ChemAxon inchi InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3 ChemAxon inchikey BGXFQDFSVDZUIW-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 66.34 ChemAxon polarizability 25.64 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6695 Specdb::MsMs 6696 Specdb::MsMs 6697 Specdb::MsMs 13367 Specdb::MsMs 13368 Specdb::MsMs 13369 Specdb::MsMs 2382428 Specdb::MsMs 2382429 Specdb::MsMs 2382430 Specdb::MsMs 2579934 Specdb::MsMs 2579935 Specdb::MsMs 2579936 Specdb::CMs 15358 Specdb::CMs 43579 Specdb::CMs 126803 Specdb::CMs 163166 Specdb::CMs 869761 HMDB33914 #<Reference:0x000055ce31624760> Fruits Unknown generic