1.0 2010-04-08 22:11:19 UTC 2019-11-26 03:10:15 UTC FDB014517 Armillyl orsellinate Metabolite of Armillaria mellea (honey mushroom). Armillyl orsellinate is found in mushrooms. Armillyl orsellinate C23H30O6 402.4807 402.204238692 4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate 82105-51-9 CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)=C12 InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3 WGPPXYYHVRWVLO-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 Carboxylic acid esters Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives Organic oxides Primary alcohols Resorcinols Salicylic acid and derivatives Secondary alcohols Toluenes Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Dihydroxybenzoic acid Hydrocarbon derivative M-cresol Melleolide-skeleton Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Primary alcohol Resorcinol Salicylic acid or derivatives Secondary alcohol Toluene Vinylogous acid logp 2.62 ALOGPS logs -4.33 ALOGPS solubility 1.87e-02 g/l ALOGPS melting_point Mp 91-93° logp 3.44 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate ChemAxon average_mass 402.4807 ChemAxon mono_mass 402.204238692 ChemAxon smiles CC1=CC(O)=CC(O)=C1C(=O)OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)=C12 ChemAxon formula C23H30O6 ChemAxon inchi InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3 ChemAxon inchikey WGPPXYYHVRWVLO-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 108.98 ChemAxon polarizability 44.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16325 Specdb::CMs 44554 Specdb::CMs 149731 Specdb::MsMs 82278 Specdb::MsMs 82279 Specdb::MsMs 82280 Specdb::MsMs 143595 Specdb::MsMs 143596 Specdb::MsMs 143597 Specdb::MsMs 2306862 Specdb::MsMs 2306863 Specdb::MsMs 2306864 Specdb::MsMs 3062356 Specdb::MsMs 3062357 Specdb::MsMs 3062358 HMDB35774 #<Reference:0x000055ce32001940> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322