1.0 2010-04-08 22:08:16 UTC 2019-11-26 03:03:17 UTC FDB008824 Glabranin Constituent of the seeds of Annona glabra (pond apple). Glabranin is found in alcoholic beverages, fruits, and sugar apple. (S)-5,7-dihydroxy-8-(3-methylbut-2-ene)flavanone Glabranine C37H66O7 622.9157 622.480854466 3-(2-hydroxy-9-{5-[(8E)-1,4,5-trihydroxynonadec-8-en-1-yl]oxolan-2-yl}nonyl)-5-methyl-2,5-dihydrofuran-2-one 3-(2-hydroxy-9-{5-[(8E)-1,4,5-trihydroxynonadec-8-en-1-yl]oxolan-2-yl}nonyl)-5-methyl-5H-furan-2-one 41983-91-9 CCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12+ OOKJEMBYFZCLNC-FOWTUZBSSA-N belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. 8-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 5-hydroxyflavonoid 7-hydroxyflavonoid 8-prenylated flavanone Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous acid Flavanones dihydroxyflavanone flavanones logp 7.02 ALOGPS logs -5.81 ALOGPS solubility 9.65e-04 g/l ALOGPS logp 8.23 ChemAxon pka_strongest_acidic 13.69 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(2-hydroxy-9-{5-[(8E)-1,4,5-trihydroxynonadec-8-en-1-yl]oxolan-2-yl}nonyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 622.9157 ChemAxon mono_mass 622.480854466 ChemAxon smiles CCCCCCCCCC\C=C\CCC(O)C(O)CCC(O)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C37H66O7 ChemAxon inchi InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12+ ChemAxon inchikey OOKJEMBYFZCLNC-FOWTUZBSSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 179.66 ChemAxon polarizability 77.76 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98556 Specdb::MsMs 98557 Specdb::MsMs 98558 Specdb::MsMs 163506 Specdb::MsMs 163507 Specdb::MsMs 163508 Specdb::MsMs 2707622 Specdb::MsMs 2707623 Specdb::MsMs 2707624 Specdb::MsMs 3000640 Specdb::MsMs 3000641 Specdb::MsMs 3000642 Specdb::CMs 21258 Specdb::CMs 42746 Specdb::CMs 547413 Specdb::CMs 547414 Specdb::CMs 547415 Specdb::CMs 547416 Specdb::CMs 547417 Specdb::CMs 547418 Specdb::CMs 547419 Specdb::CMs 547420 Specdb::CMs 547421 Specdb::CMs 547422 Specdb::CMs 547423 Specdb::CMs 547424 Specdb::CMs 547425 Specdb::CMs 547426 Specdb::CMs 547427 Specdb::CMs 547428 Specdb::CMs 547429 Specdb::CMs 547430 Specdb::CMs 547431 Specdb::CMs 547432 Specdb::CMs 547433 Specdb::CMs 547434 Specdb::CMs 547435 HMDB32104 #<Reference:0x000055ce32838e38> Alcoholic beverages Unknown generic Fruits Unknown generic Sugar apple Type 1 specific Annona squamosa 301693