1.0 2010-04-08 22:09:58 UTC 2019-11-26 03:06:07 UTC FDB012072 Mammea B/AD cyclo D Isolated from Mammea americana (mamey). Mammea B/AD cyclo D is found in fruits. Mammea B/AD cyclo D C21H24O5 356.4123 356.162373878 5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propyl-2H,8H-pyrano[2,3-h]chromen-2-one 5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propylpyrano[2,3-h]chromen-2-one 34107-36-3 CCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)C(C)C)C(O)=C12 InChI=1S/C21H24O5/c1-6-7-12-10-14(22)25-19-13-8-9-21(4,5)26-20(13)16(17(23)11(2)3)18(24)15(12)19/h8-11,24H,6-7H2,1-5H3 QPGVMBKJECZCKK-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 Benzenoids 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 Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone Vinylogous acid logp 4.54 ALOGPS logs -4.48 ALOGPS solubility 1.17e-02 g/l ALOGPS logp 5.02 ChemAxon pka_strongest_acidic 8.47 ChemAxon pka_strongest_basic -5 ChemAxon iupac 5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-propyl-2H,8H-pyrano[2,3-h]chromen-2-one ChemAxon average_mass 356.4123 ChemAxon mono_mass 356.162373878 ChemAxon smiles CCCC1=CC(=O)OC2=C3C=CC(C)(C)OC3=C(C(=O)C(C)C)C(O)=C12 ChemAxon formula C21H24O5 ChemAxon inchi InChI=1S/C21H24O5/c1-6-7-12-10-14(22)25-19-13-8-9-21(4,5)26-20(13)16(17(23)11(2)3)18(24)15(12)19/h8-11,24H,6-7H2,1-5H3 ChemAxon inchikey QPGVMBKJECZCKK-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 101.01 ChemAxon polarizability 38.97 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19257 Specdb::CMs 43556 Specdb::CMs 149088 Specdb::MsMs 58764 Specdb::MsMs 58765 Specdb::MsMs 58766 Specdb::MsMs 114771 Specdb::MsMs 114772 Specdb::MsMs 114773 Specdb::MsMs 2397642 Specdb::MsMs 2397643 Specdb::MsMs 2397644 Specdb::MsMs 2541569 Specdb::MsMs 2541570 Specdb::MsMs 2541571 HMDB33879 #<Reference:0x000055ce332c5fe0> Fruits Unknown generic