1.0 2010-04-08 22:12:11 UTC 2025-11-19 01:38:13 UTC FDB016023 Melleolide C Production by Armillaria mellea (honey mushroom). Melleolide C is found in mushrooms. Melleolide C C24H32O8 448.5061 448.209718 2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate 2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate 101901-56-8 COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(C)=C1 InChI=1S/C24H32O8/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/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3 XXMVVKDVYBWXPQ-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 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 Primary alcohols 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 Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl 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 Primary alcohol Salicylic acid or derivatives Secondary alcohol Tertiary alcohol Toluene Vinylogous acid logp 1.11 ALOGPS logs -3.12 ALOGPS solubility 3.44e-01 g/l ALOGPS melting_point Mp 78-80° logp 1.67 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2a,4a,7-trihydroxy-3-(hydroxymethyl)-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 448.5061 ChemAxon mono_mass 448.209718 ChemAxon smiles COC1=CC(O)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(CO)C23O)C(C)=C1 ChemAxon formula C24H32O8 ChemAxon inchi InChI=1S/C24H32O8/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/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3 ChemAxon inchikey XXMVVKDVYBWXPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 116.38 ChemAxon polarizability 47.29 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11164 Specdb::CMs 45196 Specdb::CMs 171809 Specdb::MsMs 8936 Specdb::MsMs 8937 Specdb::MsMs 8938 Specdb::MsMs 15608 Specdb::MsMs 15609 Specdb::MsMs 15610 Specdb::MsMs 2722359 Specdb::MsMs 2722360 Specdb::MsMs 2722361 Specdb::MsMs 2959833 Specdb::MsMs 2959834 Specdb::MsMs 2959835 HMDB37041 #<Reference:0x000055ce321cec50> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322