1.0 2010-04-08 22:11:23 UTC 2025-11-19 00:48:31 UTC FDB014638 5'-O-Methylmelledonal Metabolite of Armillaria mellea (honey mushroom). 5'-O-Methylmelledonal is found in mushrooms. 5'-O-Methylmelledonal C24H30O8 446.4902 446.194067936 3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate 3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(C)=C1 InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3 PETDNGRBYPTDNI-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 Alkyl aryl ethers Anisoles Benzoyl derivatives Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Meta cresols Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides P-methoxybenzoic acids and derivatives Phenoxy compounds Polyols Salicylic acid and derivatives Secondary alcohols Tertiary alcohols Toluenes Vinylogous acids o-Hydroxybenzoic acid esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aldehyde Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclobutanol Ether Hydrocarbon derivative M-cresol Melleolide-skeleton Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol Phenol ether Phenoxy compound Polyol Salicylic acid or derivatives Secondary alcohol Tertiary alcohol Toluene Vinylogous acid logp 1.69 ALOGPS logs -3.20 ALOGPS solubility 2.79e-01 g/l ALOGPS melting_point Mp 170-171° logp 1.98 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate ChemAxon average_mass 446.4902 ChemAxon mono_mass 446.194067936 ChemAxon smiles COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(C)=C1 ChemAxon formula C24H30O8 ChemAxon inchi InChI=1S/C24H30O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,10,16,18-19,26-27,29-30H,9,11H2,1-5H3 ChemAxon inchikey PETDNGRBYPTDNI-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 115.4 ChemAxon polarizability 46.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13576 Specdb::CMs 44603 Specdb::CMs 148649 Specdb::MsMs 43557 Specdb::MsMs 43558 Specdb::MsMs 43559 Specdb::MsMs 157608 Specdb::MsMs 157609 Specdb::MsMs 157610 Specdb::MsMs 2448913 Specdb::MsMs 2448914 Specdb::MsMs 2448915 Specdb::MsMs 2486874 Specdb::MsMs 2486875 Specdb::MsMs 2486876 HMDB35859 #<Reference:0x000055ce2f45d9b0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322