1.0 2010-04-08 22:05:23 UTC 2020-02-24 19:10:31 UTC FDB002462 Occidentoside Isolated from Anacardium occidentale (cashew). Occidentoside is found in cashew nut and nuts. 2-[4-[3-b-D-Glucopyranosyl-2,4,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]phenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI C36H32O15 704.6303 704.174120354 5,7-dihydroxy-2-(4-{2,4,6-trihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one 5,7-dihydroxy-2-(4-{2,4,6-trihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}phenyl)-2,3-dihydro-1-benzopyran-4-one 77782-91-3 OCC1OC(C(O)C(O)C1O)C1=C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O InChI=1S/C36H32O15/c37-14-25-29(43)33(47)34(48)35(51-25)28-30(44)27(20(40)10-3-15-1-6-17(38)7-2-15)31(45)36(32(28)46)49-19-8-4-16(5-9-19)23-13-22(42)26-21(41)11-18(39)12-24(26)50-23/h1-12,23,25,29,33-35,37-39,41,43-48H,13-14H2/b10-3+ QAYDNOZSJGIPSH-XCVCLJGOSA-N belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Lignan glycosides Organic compounds Lignans, neolignans and related compounds Lignan glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-Hydroxychalcones 5-hydroxyflavonoids 7-hydroxyflavonoids Acryloyl compounds Acylphloroglucinols and derivatives Alkyl aryl ethers Aryl alkyl ketones Benzoyl derivatives C-glycosyl compounds Chromones Cinnamylphenols Dialkyl ethers Diarylethers Diphenylethers Enones Flavanones Hexoses Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone 5-hydroxyflavonoid 7-hydroxyflavonoid Acryloyl-group Acylphloroglucinol derivative Alcohol Alkyl aryl ether Alpha,beta-unsaturated ketone Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenetriol Benzenoid Benzopyran Benzoyl C-glycosyl compound Chromane Chromone Cinnamylphenol Dialkyl ether Diaryl ether Diphenylether Enone Ether Flavan Flavanone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Ketone Lignan glycoside Linear 1,3-diarylpropanoid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Phloroglucinol derivative Polyol Primary alcohol Secondary alcohol Styrene Vinylogous acid logp 2.94 ALOGPS logs -3.58 ALOGPS solubility 1.84e-01 g/l ALOGPS melting_point Mp 160-161° logp 3.88 ChemAxon pka_strongest_acidic 4.94 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5,7-dihydroxy-2-(4-{2,4,6-trihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 704.6303 ChemAxon mono_mass 704.174120354 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1=C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O ChemAxon formula C36H32O15 ChemAxon inchi InChI=1S/C36H32O15/c37-14-25-29(43)33(47)34(48)35(51-25)28-30(44)27(20(40)10-3-15-1-6-17(38)7-2-15)31(45)36(32(28)46)49-19-8-4-16(5-9-19)23-13-22(42)26-21(41)11-18(39)12-24(26)50-23/h1-12,23,25,29,33-35,37-39,41,43-48H,13-14H2/b10-3+ ChemAxon inchikey QAYDNOZSJGIPSH-XCVCLJGOSA-N ChemAxon polar_surface_area 264.13 ChemAxon refractivity 177.41 ChemAxon polarizability 70.81 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48714 Specdb::MsMs 48715 Specdb::MsMs 48716 Specdb::MsMs 162654 Specdb::MsMs 162655 Specdb::MsMs 162656 Specdb::MsMs 2313341 Specdb::MsMs 2313342 Specdb::MsMs 2313343 Specdb::MsMs 2652338 Specdb::MsMs 2652339 Specdb::MsMs 2652340 Specdb::CMs 751244 Specdb::CMs 751245 Specdb::CMs 751246 Specdb::CMs 751247 Specdb::CMs 751248 Specdb::CMs 751249 Specdb::CMs 751250 Specdb::CMs 751251 Specdb::CMs 751252 Specdb::CMs 751253 Specdb::CMs 751254 Specdb::CMs 751255 Specdb::CMs 751256 Specdb::CMs 751257 Specdb::CMs 751258 Specdb::CMs 751259 Specdb::CMs 751260 Specdb::CMs 751261 Specdb::CMs 751262 Specdb::CMs 751263 Specdb::CMs 751264 Specdb::CMs 751265 Specdb::CMs 751266 Specdb::CMs 751267 Specdb::CMs 751268 HMDB30574 #<Reference:0x000055ce320247b0> Cashew nut Type 1 specific Anacardium occidentale 171929 Nuts Unknown generic