1.0 2010-04-08 22:10:48 UTC 2019-11-26 03:08:42 UTC FDB013605 Melleolide K Isolated from Armillariella mellea (honey mushroom). Melleolide K is found in mushrooms. Melleolide K C23H27ClO6 434.91 434.149616303 3-formyl-2a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate 3-formyl-2a-hydroxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=CC(O)=C1Cl InChI=1S/C23H27ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,10,12,14,17,26-27,29H,7-9H2,1-4H3 UHFQTECWVLYLBG-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 Aryl chlorides Benzoyl derivatives Carboxylic acid esters Chlorobenzenes Cyclic alcohols and derivatives Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives O-chlorophenols Organic oxides Organochlorides P-chlorophenols Resorcinols Salicylic acid and derivatives Tertiary alcohols Toluenes Vinylogous acids o-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 2-chlorophenol 2-halophenol 3-halobenzoic acid or derivatives 4-chlorophenol 4-halophenol Alcohol Aldehyde Aromatic homopolycyclic compound Aryl chloride Aryl halide Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorobenzene Cyclobutanol Dihydroxybenzoic acid Halobenzene Halobenzoic acid or derivatives Hydrocarbon derivative M-cresol Melleolide-skeleton Monocarboxylic acid or derivatives Monocyclic benzene moiety O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Resorcinol Salicylic acid or derivatives Tertiary alcohol Toluene Vinylogous acid logp 4.09 ALOGPS logs -4.72 ALOGPS solubility 8.23e-03 g/l ALOGPS melting_point Mp 71-74° logp 4.71 ChemAxon pka_strongest_acidic 7.21 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-formyl-2a-hydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate ChemAxon average_mass 434.91 ChemAxon mono_mass 434.149616303 ChemAxon smiles CC1=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=CC(O)=C1Cl ChemAxon formula C23H27ClO6 ChemAxon inchi InChI=1S/C23H27ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,10,12,14,17,26-27,29H,7-9H2,1-4H3 ChemAxon inchikey UHFQTECWVLYLBG-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 112.85 ChemAxon polarizability 45.27 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18679 Specdb::CMs 44129 Specdb::CMs 171610 Specdb::MsMs 68898 Specdb::MsMs 68899 Specdb::MsMs 68900 Specdb::MsMs 127041 Specdb::MsMs 127042 Specdb::MsMs 127043 Specdb::MsMs 2794973 Specdb::MsMs 2794974 Specdb::MsMs 2794975 Specdb::MsMs 2884604 Specdb::MsMs 2884605 Specdb::MsMs 2884606 HMDB35001 #<Reference:0x000055ce31941060> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322