1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:20 UTC FDB001867 Foeniculoside X Foeniculoside x is a member of the class of compounds known as tetracenequinones. Tetracenequinones are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. Foeniculoside x is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Foeniculoside x can be found in fennel, which makes foeniculoside x a potential biomarker for the consumption of this food product. 8-methoxy-elloramycinone Tetracenomycin x C24H22O11 486.4249 486.116211546 methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate 946617-64-7 COC(=O)C1=C(C)C2=C(O)C3=C(C=C2C=C1OC)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(OC)C3=O InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 QSPIPUXWSNFXCK-AGILITTLSA-N belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. Tetracenequinones Organic compounds Benzenoids Naphthacenes Tetracenequinones Aromatic homopolycyclic compounds 1,2-diols 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Anthracenecarboxylic acids Anthraquinones Aryl alkyl ketones Cyclohexenones Dialkyl ethers Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Naphthols and derivatives O-methoxybenzoic acids and derivatives Organic oxides Quinones Secondary alcohols Tertiary alcohols Tetralins Vinylogous acids Vinylogous esters 1,2-diol 1,4-anthraquinone 1-hydroxy-4-unsubstituted benzenoid 1-naphthol 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 9,10-anthraquinone Alcohol Alkyl aryl ether Anisole Anthracene carboxylic acid Anthracene carboxylic acid or derivatives Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclohexenone Dialkyl ether Ether Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Naphthalene O-methoxybenzoic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Quinone Secondary alcohol Tertiary alcohol Tetracenequinone Tetralin Vinylogous acid Vinylogous ester logp 2.25 ALOGPS logs -3.27 ALOGPS solubility 2.60e-01 g/l ALOGPS logp 1.5 ChemAxon pka_strongest_acidic 8.91 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate ChemAxon average_mass 486.4249 ChemAxon mono_mass 486.116211546 ChemAxon smiles COC(=O)C1=C(C)C2=C(O)C3=C(C=C2C=C1OC)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(OC)C3=O ChemAxon formula C24H22O11 ChemAxon inchi InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 ChemAxon inchikey QSPIPUXWSNFXCK-AGILITTLSA-N ChemAxon polar_surface_area 165.89 ChemAxon refractivity 120.66 ChemAxon polarizability 47.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87279 Specdb::MsMs 87280 Specdb::MsMs 87281 Specdb::MsMs 149751 Specdb::MsMs 149752 Specdb::MsMs 149753 Specdb::MsMs 3598840 Specdb::MsMs 3598841 Specdb::MsMs 3598842 Specdb::MsMs 3598843 Specdb::MsMs 3598844 Specdb::MsMs 3598845 32209 Fennel Type 1 specific Foeniculum vulgare 48038