1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:16 UTC FDB018525 Pyranomammea B Constituent of Mammea americana (mamey). Pyranomammea B is found in fruits. Mammea B/BB cyclo E Pyranomammea B C22H28O6 388.4541 388.188588628 5,7-dihydroxy-8,8-dimethyl-10-(2-methylbutanoyl)-4-propyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one 5,7-dihydroxy-8,8-dimethyl-10-(2-methylbutanoyl)-4-propyl-6H,7H-pyrano[3,2-g]chromen-2-one CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)C(C)CC InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3 IWAUBOJXTGEZNN-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 Aryl alkyl ketones Butyrophenones 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 Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Butyrophenone Chromane Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Secondary alcohol logp 3.85 ALOGPS logs -4.16 ALOGPS solubility 2.72e-02 g/l ALOGPS melting_point Mp 213-217° logp 3.86 ChemAxon pka_strongest_acidic 6.17 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 5,7-dihydroxy-8,8-dimethyl-10-(2-methylbutanoyl)-4-propyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-one ChemAxon average_mass 388.4541 ChemAxon mono_mass 388.188588628 ChemAxon smiles CCCC1=CC(=O)OC2=C1C(O)=C1CC(O)C(C)(C)OC1=C2C(=O)C(C)CC ChemAxon formula C22H28O6 ChemAxon inchi InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3 ChemAxon inchikey IWAUBOJXTGEZNN-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 106.01 ChemAxon polarizability 42.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23721 Specdb::CMs 46215 Specdb::CMs 174220 Specdb::MsMs 91224 Specdb::MsMs 91225 Specdb::MsMs 91226 Specdb::MsMs 154566 Specdb::MsMs 154567 Specdb::MsMs 154568 Specdb::MsMs 3037880 Specdb::MsMs 3037881 Specdb::MsMs 3037882 Specdb::MsMs 3105533 Specdb::MsMs 3105534 Specdb::MsMs 3105535 HMDB39029 #<Reference:0x000055ce2ea0e130> Fruits Unknown generic