1.0 2010-04-08 22:11:23 UTC 2025-11-19 00:48:34 UTC FDB014646 Melledonal C Metabolite of Armillaria mellea (honey mushroom) Melledonal C C24H29ClO8 480.935 480.155095611 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-6-hydroxy-4-methoxy-2-methylbenzoate 3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 117458-35-2 COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1 InChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3 RCBZBPPFXBBNCD-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Meta cresols Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Organochlorides P-chlorophenols P-methoxybenzoic acids and derivatives Phenoxy compounds Polyols Salicylic acid and derivatives Secondary alcohols Tertiary alcohols Toluenes Vinylogous acids o-Hydroxybenzoic acid esters 1-hydroxy-2-unsubstituted benzenoid 3-halobenzoic acid or derivatives 4-chlorophenol 4-halophenol Alcohol 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 Cyclic alcohol Cyclobutanol 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 Polyol Salicylic acid or derivatives Secondary alcohol Tertiary alcohol Toluene Vinylogous acid logp 2.22 ALOGPS logs -3.68 ALOGPS solubility 1.02e-01 g/l ALOGPS melting_point Mp 200-205° logp 2.59 ChemAxon pka_strongest_acidic 9.33 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-6-hydroxy-4-methoxy-2-methylbenzoate ChemAxon average_mass 480.935 ChemAxon mono_mass 480.155095611 ChemAxon smiles COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4C(O)C(C)(C)CC4(O)C=C(C=O)C23O)C(O)=C1 ChemAxon formula C24H29ClO8 ChemAxon inchi InChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3 ChemAxon inchikey RCBZBPPFXBBNCD-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 120.2 ChemAxon polarizability 48.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10128 Specdb::CMs 44609 Specdb::CMs 147345 Specdb::MsMs 42990 Specdb::MsMs 42991 Specdb::MsMs 42992 Specdb::MsMs 143574 Specdb::MsMs 143575 Specdb::MsMs 143576 Specdb::MsMs 2352316 Specdb::MsMs 2352317 Specdb::MsMs 2352318 Specdb::MsMs 2583446 Specdb::MsMs 2583447 Specdb::MsMs 2583448 HMDB35866 #<Reference:0x00007f093c120c68>