1.0 2010-04-08 22:05:31 UTC 2020-02-24 19:10:37 UTC FDB002786 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid Constituent of Crocus sativus (saffron). 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid is found in saffron. 9,10-Dihydro-3,8-dihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid, 9CI C16H10O6 298.247 298.047738052 3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid 3,8-dihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid 69119-31-9 CC1=C2C(=O)C3=C(C=CC=C3O)C(=O)C2=CC(O)=C1C(O)=O InChI=1S/C16H10O6/c1-6-11-8(5-10(18)12(6)16(21)22)14(19)7-3-2-4-9(17)13(7)15(11)20/h2-5,17-18H,1H3,(H,21,22) MHABMANUFPZXEB-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Carboxylic acids Hydrocarbon derivatives Hydroxyanthraquinones Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Organic oxides Salicylic acid and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 9,10-anthraquinone Anthracene carboxylic acid Anthraquinone Aromatic homopolycyclic compound Aryl ketone Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxyanthraquinone Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Salicylic acid or derivatives Vinylogous acid logp 2.27 ALOGPS logs -3.26 ALOGPS solubility 1.63e-01 g/l ALOGPS melting_point Mp 248-250° (241-244°) logp 3.78 ChemAxon pka_strongest_acidic 2.23 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 298.247 ChemAxon mono_mass 298.047738052 ChemAxon smiles CC1=C2C(=O)C3=C(C=CC=C3O)C(=O)C2=CC(O)=C1C(O)=O ChemAxon formula C16H10O6 ChemAxon inchi InChI=1S/C16H10O6/c1-6-11-8(5-10(18)12(6)16(21)22)14(19)7-3-2-4-9(17)13(7)15(11)20/h2-5,17-18H,1H3,(H,21,22) ChemAxon inchikey MHABMANUFPZXEB-UHFFFAOYSA-N ChemAxon polar_surface_area 111.9 ChemAxon refractivity 77.41 ChemAxon polarizability 28.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22647 Specdb::CMs 42197 Specdb::CMs 149255 Specdb::MsMs 110235 Specdb::MsMs 110236 Specdb::MsMs 110237 Specdb::MsMs 177858 Specdb::MsMs 177859 Specdb::MsMs 177860 Specdb::MsMs 2315489 Specdb::MsMs 2315490 Specdb::MsMs 2315491 Specdb::MsMs 2620478 Specdb::MsMs 2620479 Specdb::MsMs 2620480 HMDB30830 #<Reference:0x000055ce314a3120> Saffron Type 1 specific Crocus sativus 82528