1.0 2010-04-08 22:11:15 UTC 2025-11-19 00:46:15 UTC FDB014407 6-O-Methylarmillaridin Metabolite of Armillaria mellea (honey mushroom). 6-O-Methylarmillaridin is found in mushrooms. 4-O-Methylarmillaridin 6-O-Methylarmillaridin C25H31ClO6 462.963 462.180916431 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 126006-70-0 COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23OC)C(O)=C1 InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3 OFHJKWNSOIQOPB-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 3-halobenzoic acids and derivatives Aldehydes Alkyl aryl ethers Anisoles Aryl chlorides Benzoyl derivatives Carboxylic acid esters Chlorobenzenes Dialkyl ethers Hydrocarbon derivatives Meta cresols Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Organochlorides P-chlorophenols P-methoxybenzoic acids and derivatives Phenoxy compounds Salicylic acid and derivatives Toluenes Vinylogous acids o-Hydroxybenzoic acid esters 1-hydroxy-2-unsubstituted benzenoid 3-halobenzoic acid or derivatives 4-chlorophenol 4-halophenol Aldehyde Alkyl aryl ether Anisole Aromatic homopolycyclic compound Aryl chloride Aryl halide Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorobenzene Dialkyl ether Ether Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative M-cresol Melleolide-skeleton Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol Phenol ether Phenoxy compound Salicylic acid or derivatives Toluene Vinylogous acid logp 5.15 ALOGPS logs -5.46 ALOGPS solubility 1.61e-03 g/l ALOGPS melting_point Mp 132-136° logp 5.5 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3-formyl-2a-methoxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate ChemAxon average_mass 462.963 ChemAxon mono_mass 462.180916431 ChemAxon smiles COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23OC)C(O)=C1 ChemAxon formula C25H31ClO6 ChemAxon inchi InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3 ChemAxon inchikey OFHJKWNSOIQOPB-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 122.09 ChemAxon polarizability 49.4 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16468 Specdb::CMs 44507 Specdb::CMs 169259 Specdb::MsMs 98289 Specdb::MsMs 98290 Specdb::MsMs 98291 Specdb::MsMs 163185 Specdb::MsMs 163186 Specdb::MsMs 163187 Specdb::MsMs 2416960 Specdb::MsMs 2416961 Specdb::MsMs 2416962 Specdb::MsMs 2549194 Specdb::MsMs 2549195 Specdb::MsMs 2549196 HMDB35690 #<Reference:0x000055ce31d6aba0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322