1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:47 UTC FDB018154 Armillatin Metabolite of Armillaria mellea (honey mushroom). Armillatin is found in mushrooms. Armillatin C38H58O6 610.8635 610.423339588 2a-(hexadecanoyloxy)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 2a-(hexadecanoyloxy)-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 139051-17-5 CCCCCCCCCCCCCCCC(=O)OC12C=CC3CC(C)(C)CC3C1(C)CC2OC(=O)C1=C(O)C=C(O)C=C1C InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3 SFZLJVNEGHGCDQ-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 Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Meta cresols Organic oxides Resorcinols Salicylic acid and derivatives Toluenes Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Dihydroxybenzoic acid Fatty acid ester Fatty acyl Hydrocarbon derivative M-cresol Melleolide-skeleton Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Resorcinol Salicylic acid or derivatives Toluene Vinylogous acid logp 8.55 ALOGPS logs -6.99 ALOGPS solubility 6.27e-05 g/l ALOGPS logp 11.75 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2a-(hexadecanoyloxy)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate ChemAxon average_mass 610.8635 ChemAxon mono_mass 610.423339588 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC12C=CC3CC(C)(C)CC3C1(C)CC2OC(=O)C1=C(O)C=C(O)C=C1C ChemAxon formula C38H58O6 ChemAxon inchi InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3 ChemAxon inchikey SFZLJVNEGHGCDQ-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 176.56 ChemAxon polarizability 73.49 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17910 Specdb::CMs 46024 Specdb::CMs 516276 Specdb::CMs 516277 Specdb::CMs 516278 Specdb::CMs 516279 Specdb::CMs 516280 Specdb::CMs 792381 Specdb::MsMs 10313 Specdb::MsMs 10314 Specdb::MsMs 10315 Specdb::MsMs 16985 Specdb::MsMs 16986 Specdb::MsMs 16987 Specdb::MsMs 2440666 Specdb::MsMs 2440667 Specdb::MsMs 2440668 Specdb::MsMs 2525517 Specdb::MsMs 2525518 Specdb::MsMs 2525519 HMDB38743 #<Reference:0x000055ce326510c0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322