1.0 2010-04-08 22:09:43 UTC 2019-11-26 03:05:06 UTC FDB011595 Honyudisin Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus. 5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI C19H20O4 312.3597 312.136159128 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H,8H-pyrano[2,3-f]chromen-2-one 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-2-one 114542-45-9 CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC(=O)C=CC2=C1O InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3 QMEMHCMQAQFMEL-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 Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Angular pyranocoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone logp 4.21 ALOGPS logs -4.55 ALOGPS solubility 8.73e-03 g/l ALOGPS melting_point Mp 179-180° logp 4.11 ChemAxon pka_strongest_acidic 7.63 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H,8H-pyrano[2,3-f]chromen-2-one ChemAxon average_mass 312.3597 ChemAxon mono_mass 312.136159128 ChemAxon smiles CC(C)=CCC1=C2OC(C)(C)C=CC2=C2OC(=O)C=CC2=C1O ChemAxon formula C19H20O4 ChemAxon inchi InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3 ChemAxon inchikey QMEMHCMQAQFMEL-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 92.17 ChemAxon polarizability 34.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19861 Specdb::CMs 43346 Specdb::CMs 131008 Specdb::CMs 138742 Specdb::MsMs 78198 Specdb::MsMs 78199 Specdb::MsMs 78200 Specdb::MsMs 138489 Specdb::MsMs 138490 Specdb::MsMs 138491 Specdb::MsMs 2330325 Specdb::MsMs 2330326 Specdb::MsMs 2330327 Specdb::MsMs 2635636 Specdb::MsMs 2635637 Specdb::MsMs 2635638 HMDB33535 #<Reference:0x000055ce308b3928> Citrus Unknown generic