1.0 2010-04-08 22:12:11 UTC 2025-11-19 01:38:29 UTC FDB016025 Melledonal B From Armillaria mellea (honey mushroom). Melledonal B is found in mushrooms. Melledonal B C23H27ClO8 466.909 466.139445547 3-formyl-2a,4a,7-trihydroxy-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,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate 117458-36-3 CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3 HAJBXIZSTZMKOC-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 Polyols Resorcinols Salicylic acid and derivatives Secondary alcohols 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 Cyclic alcohol 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 Polyol Resorcinol Salicylic acid or derivatives Secondary alcohol Tertiary alcohol Toluene Vinylogous acid logp 2.13 ALOGPS logs -3.28 ALOGPS solubility 2.47e-01 g/l ALOGPS melting_point Mp 228-232° logp 2.44 ChemAxon pka_strongest_acidic 7.21 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-formyl-2a,4a,7-trihydroxy-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 466.909 ChemAxon mono_mass 466.139445547 ChemAxon smiles CC1=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=CC(O)=C1Cl ChemAxon formula C23H27ClO8 ChemAxon inchi InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3 ChemAxon inchikey HAJBXIZSTZMKOC-UHFFFAOYSA-N ChemAxon polar_surface_area 144.52 ChemAxon refractivity 115.72 ChemAxon polarizability 46.5 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22947 Specdb::CMs 45198 Specdb::CMs 156097 Specdb::MsMs 51249 Specdb::MsMs 51250 Specdb::MsMs 51251 Specdb::MsMs 171006 Specdb::MsMs 171007 Specdb::MsMs 171008 Specdb::MsMs 2770814 Specdb::MsMs 2770815 Specdb::MsMs 2770816 Specdb::MsMs 2907354 Specdb::MsMs 2907355 Specdb::MsMs 2907356 HMDB37043 #<Reference:0x000055ce30735b50> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322