1.0 2010-04-08 22:14:12 UTC 2019-11-26 03:17:14 UTC FDB019200 1,5-Dihydroxy-2-methoxy-6-methylanthraquinone Isolated from the stem bark of Aegle marmelos (baelfruit). 1,5-Dihydroxy-2-methoxy-6-methylanthraquinone is found in fruits. 1,5-Dihydroxy-2-methoxy-6-methylanthraquinone C16H12O5 284.2635 284.068473494 1,5-dihydroxy-2-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione 1,5-dihydroxy-2-methoxy-6-methylanthracene-9,10-dione 63965-45-7 COC1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC(C)=C1O)C2=O InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)14(18)9-5-6-10(21-2)16(20)12(9)15(8)19/h3-6,17,20H,1-2H3 JJTIQZJKQCQNJK-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Alkyl aryl ether Anisole Anthraquinone Aromatic homopolycyclic compound Aryl ketone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid logp 2.97 ALOGPS logs -3.48 ALOGPS solubility 9.50e-02 g/l ALOGPS melting_point Mp 252-253° (248°) logp 3.97 ChemAxon pka_strongest_acidic 9.58 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 1,5-dihydroxy-2-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 284.2635 ChemAxon mono_mass 284.068473494 ChemAxon smiles COC1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC(C)=C1O)C2=O ChemAxon formula C16H12O5 ChemAxon inchi InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)17)14(18)9-5-6-10(21-2)16(20)12(9)15(8)19/h3-6,17,20H,1-2H3 ChemAxon inchikey JJTIQZJKQCQNJK-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 76.62 ChemAxon polarizability 28.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14238 Specdb::CMs 46465 Specdb::CMs 153151 Specdb::MsMs 97311 Specdb::MsMs 97312 Specdb::MsMs 97313 Specdb::MsMs 162003 Specdb::MsMs 162004 Specdb::MsMs 162005 Specdb::MsMs 2681028 Specdb::MsMs 2681029 Specdb::MsMs 2681030 Specdb::MsMs 3027636 Specdb::MsMs 3027637 Specdb::MsMs 3027638 HMDB39578 #<Reference:0x000055ce31d2b978> Fruits Unknown generic