1.0 2010-04-08 22:12:11 UTC 2015-07-20 23:24:49 UTC FDB016021 4-O-Methylmelleolide From Armillaria mellea (honey mushroom) 4-O-Methylmelleolide C24H30O6 414.4914 414.204238692 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 96627-13-3 COC12C(CC1(C)C1CC(C)(C)CC1C=C2C=O)OC(=O)C1=C(O)C=C(O)C=C1C InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3 GYCBSZGIYPNYAB-UHFFFAOYSA-N belongs to the class of organic compounds known as melleolides and analogues. Melleolides and analogues are compounds with a structure characterized by the presence of a 2-hydroxy-4-methoxy-6-methylbenzoic acid derivative linked to a 3,6,6,7b-tetramethyl-cyclobuta[e]indene moiety. Melleolides and analogues Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aldehydes Benzoyl derivatives Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives Organic oxides Resorcinols Salicylic acid and derivatives Toluenes Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aldehyde Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydroxybenzoic acid Ether Hydrocarbon derivative M-cresol Melleolide-skeleton Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Resorcinol Salicylic acid or derivatives Toluene Vinylogous acid logp 4.17 ALOGPS logs -4.63 ALOGPS solubility 9.80e-03 g/l ALOGPS melting_point Mp 189-191° logp 4.75 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -4 ChemAxon iupac 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate ChemAxon average_mass 414.4914 ChemAxon mono_mass 414.204238692 ChemAxon smiles COC12C(CC1(C)C1CC(C)(C)CC1C=C2C=O)OC(=O)C1=C(O)C=C(O)C=C1C ChemAxon formula C24H30O6 ChemAxon inchi InChI=1S/C24H30O6/c1-13-6-16(26)8-18(27)20(13)21(28)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)29-5/h6-8,12,14,17,19,26-27H,9-11H2,1-5H3 ChemAxon inchikey GYCBSZGIYPNYAB-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 112.8 ChemAxon polarizability 45.03 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26610 Specdb::CMs 45194 Specdb::CMs 161201 Specdb::MsMs 10784 Specdb::MsMs 10785 Specdb::MsMs 10786 Specdb::MsMs 17456 Specdb::MsMs 17457 Specdb::MsMs 17458 Specdb::MsMs 2432674 Specdb::MsMs 2432675 Specdb::MsMs 2432676 Specdb::MsMs 2502482 Specdb::MsMs 2502483 Specdb::MsMs 2502484 HMDB37039 #<Reference:0x000055ce325c0908>