1.0 2010-04-08 22:10:09 UTC 2019-11-26 03:06:44 UTC FDB012417 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one Isolated from Mammea americana (mamey). 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one is found in fruits. C24H30O5 398.492 398.20932407 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-pentyl-2H,8H-pyrano[2,3-h]chromen-2-one 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-pentylpyrano[2,3-h]chromen-2-one 39036-47-0 CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)CC(C)C)C(O)=C12 InChI=1S/C24H30O5/c1-6-7-8-9-15-13-18(26)28-22-16-10-11-24(4,5)29-23(16)20(21(27)19(15)22)17(25)12-14(2)3/h10-11,13-14,27H,6-9,12H2,1-5H3 UIZLWUQKSKSCTK-UHFFFAOYSA-N belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Angular pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl alkyl ketones Butyrophenones Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Angular pyranocoumarin Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Vinylogous acid logp 5.47 ALOGPS logs -5.03 ALOGPS solubility 3.74e-03 g/l ALOGPS logp 6.1 ChemAxon pka_strongest_acidic 8.48 ChemAxon pka_strongest_basic -5 ChemAxon iupac 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-pentyl-2H,8H-pyrano[2,3-h]chromen-2-one ChemAxon average_mass 398.492 ChemAxon mono_mass 398.20932407 ChemAxon smiles CCCCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)CC(C)C)C(O)=C12 ChemAxon formula C24H30O5 ChemAxon inchi InChI=1S/C24H30O5/c1-6-7-8-9-15-13-18(26)28-22-16-10-11-24(4,5)29-23(16)20(21(27)19(15)22)17(25)12-14(2)3/h10-11,13-14,27H,6-9,12H2,1-5H3 ChemAxon inchikey UIZLWUQKSKSCTK-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 114.79 ChemAxon polarizability 44.93 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13012 Specdb::CMs 43732 Specdb::CMs 171014 Specdb::MsMs 51552 Specdb::MsMs 51553 Specdb::MsMs 51554 Specdb::MsMs 161793 Specdb::MsMs 161794 Specdb::MsMs 161795 Specdb::MsMs 2334046 Specdb::MsMs 2334047 Specdb::MsMs 2334048 Specdb::MsMs 2632427 Specdb::MsMs 2632428 Specdb::MsMs 2632429 HMDB34142 #<Reference:0x000055ce315fa8c0> Fruits Unknown generic