1.0 2010-04-08 22:04:31 UTC 2025-11-18 22:17:01 UTC FDB000331 Conidendrin Conidendrin, also known as alpha-conidendrin, is a member of the class of compounds known as lignan lactones. Lignan lactones are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. Conidendrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Conidendrin can be found in sesame, which makes conidendrin a potential biomarker for the consumption of this food product. (-)-alpha-Conidendrin alpha-Conidendrin C20H20O6 356.3692 356.125988372 (3aS,4R,9aR)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one (3aS,4R,9aR)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one 518-55-8 COC1=CC2=C(C=C1O)[C@H]([C@@H]1COC(=O)[C@@H]1C2)C1=CC=C(O)C(OC)=C1 InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14-,19-/m1/s1 CAYMSCGTKZIVTN-PJIJBLCYSA-N belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. Lignan lactones Organic compounds Lignans, neolignans and related compounds Lignan lactones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryltetralin lignans Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans Tetralins 1-aryltetralin lignan 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Gamma butyrolactone Hydrocarbon derivative Lactone Lignan lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Tetrahydrofuran Tetralin logp 2.68 ALOGPS logs -4.26 ALOGPS solubility 1.94e-02 g/l ALOGPS logp 2.74 ChemAxon pka_strongest_acidic 9.59 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (3aS,4R,9aR)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1H,3H,3aH,4H,9H,9aH-naphtho[2,3-c]furan-1-one ChemAxon average_mass 356.3692 ChemAxon mono_mass 356.125988372 ChemAxon smiles COC1=CC2=C(C=C1O)[C@H]([C@@H]1COC(=O)[C@@H]1C2)C1=CC=C(O)C(OC)=C1 ChemAxon formula C20H20O6 ChemAxon inchi InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14-,19-/m1/s1 ChemAxon inchikey CAYMSCGTKZIVTN-PJIJBLCYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 94.22 ChemAxon polarizability 36.49 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77175 Specdb::MsMs 77176 Specdb::MsMs 77177 Specdb::MsMs 137229 Specdb::MsMs 137230 Specdb::MsMs 137231 Specdb::MsMs 3597055 Specdb::MsMs 3597056 Specdb::MsMs 3597057 Specdb::MsMs 3597058 Specdb::MsMs 3597059 Specdb::MsMs 3597060 Sesame Type 1 specific Sesamum orientale 4182 0.756 0.755999982 0.755999982 mg/100 g