1.0 2010-04-08 22:05:18 UTC 2019-11-26 02:57:15 UTC FDB002265 Armillaripin Constituent of Armillaria mellea (honey mushroom). Armillaripin is found in mushrooms. Armillaripin C24H30O6 414.4914 414.204238692 3-formyl-4a-hydroxy-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-4a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate 129741-56-6 COC1=CC(O)=C(C(=O)OC2CC3(C)C2C(C=O)=CC2(O)CC(C)(C)CC32)C(C)=C1 InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3 BGKXQRPQNIXIMH-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 Salicylic acid and derivatives 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 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 Salicylic acid or derivatives Tertiary alcohol Toluene Vinylogous acid logp 3.47 ALOGPS logs -4.85 ALOGPS solubility 5.91e-03 g/l ALOGPS melting_point Mp 202-204° logp 3.94 ChemAxon pka_strongest_acidic 9.77 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-formyl-4a-hydroxy-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 414.4914 ChemAxon mono_mass 414.204238692 ChemAxon smiles COC1=CC(O)=C(C(=O)OC2CC3(C)C2C(C=O)=CC2(O)CC(C)(C)CC32)C(C)=C1 ChemAxon formula C24H30O6 ChemAxon inchi InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3 ChemAxon inchikey BGKXQRPQNIXIMH-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 112.84 ChemAxon polarizability 45.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108975 Specdb::MsMs 108976 Specdb::MsMs 108977 Specdb::MsMs 176313 Specdb::MsMs 176314 Specdb::MsMs 176315 Specdb::MsMs 2789026 Specdb::MsMs 2789027 Specdb::MsMs 2789028 Specdb::MsMs 2920636 Specdb::MsMs 2920637 Specdb::MsMs 2920638 Specdb::CMs 19612 Specdb::CMs 41910 Specdb::CMs 135428 Specdb::CMs 143162 HMDB30404 #<Reference:0x000055ce335df320> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322