1.0 2010-04-08 22:13:30 UTC 2019-11-26 03:15:41 UTC FDB018090 Armillaricin Metabolite of Armillaria mellea (honey mushroom). Armillaricin is found in mushrooms. Armillaricin C24H29ClO5 432.937 432.170351745 3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 119516-62-0 COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(O)=C1 InChI=1S/C24H29ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h7,11,13,15,18,27H,6,8-10H2,1-5H3 HTYGPZSURXEEQG-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 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 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 4.43 ALOGPS logs -5.28 ALOGPS solubility 2.27e-03 g/l ALOGPS melting_point Mp 190-192° logp 5.66 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate ChemAxon average_mass 432.937 ChemAxon mono_mass 432.170351745 ChemAxon smiles COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4CC(C=O)=C23)C(O)=C1 ChemAxon formula C24H29ClO5 ChemAxon inchi InChI=1S/C24H29ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h7,11,13,15,18,27H,6,8-10H2,1-5H3 ChemAxon inchikey HTYGPZSURXEEQG-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 115.85 ChemAxon polarizability 47.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17582 Specdb::CMs 45978 Specdb::CMs 137158 Specdb::CMs 144892 Specdb::MsMs 86001 Specdb::MsMs 86002 Specdb::MsMs 86003 Specdb::MsMs 148209 Specdb::MsMs 148210 Specdb::MsMs 148211 Specdb::MsMs 2312744 Specdb::MsMs 2312745 Specdb::MsMs 2312746 Specdb::MsMs 2653310 Specdb::MsMs 2653311 Specdb::MsMs 2653312 HMDB38686 #<Reference:0x000055ce3255dda8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322