1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:12 UTC FDB003435 (1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid) Metabolite of Armillariella mellea (honey mushroom). (1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid) is found in mushrooms. (1a,5b,6a)-7-Protoilludene-1,5,6,14-tetrol 14-(2,4-dihydroxy-6-methylbenzoic acid) C23H30O7 418.4801 418.199153314 {2,2a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-3-yl}methyl 2,4-dihydroxy-6-methylbenzoate {2,2a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,4aH,5H,7H,7aH-cyclobuta[e]inden-3-yl}methyl 2,4-dihydroxy-6-methylbenzoate 189342-41-4 CC1=CC(O)=CC(O)=C1C(=O)OCC1=CC2CC(C)(C)C(O)C2C2(C)CC(O)C12O InChI=1S/C23H30O7/c1-11-5-14(24)7-15(25)17(11)20(28)30-10-13-6-12-8-21(2,3)19(27)18(12)22(4)9-16(26)23(13,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3 OEBGQVIRXPDBGY-UHFFFAOYSA-N belongs to the class of organic compounds known as illudanes and illudins. These are sesquiterpenoids containing either the illudane moiety (based on a 3,6,6,7b-tetramethyl-decahydro-1H-cyclobuta[e]indene ring system), the illudin moiety (2',2',4',6'-tetramethyl-octahydrospiro[cyclopropane-1,5'-indene]), or a derivative thereof. Illudanes and illudins 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 Cyclic alcohols and derivatives Hydrocarbon derivatives Meta cresols Monocarboxylic acids and derivatives Organic oxides 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 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclobutanol Dihydroxybenzoic acid Hydrocarbon derivative Illudane sesquiterpenoid M-cresol 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 Polyol Resorcinol Salicylic acid or derivatives Secondary alcohol Tertiary alcohol Toluene Vinylogous acid logp 1.56 ALOGPS logs -3.23 ALOGPS solubility 2.48e-01 g/l ALOGPS melting_point Mp 205-207° logp 2.64 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -3 ChemAxon iupac {2,2a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-3-yl}methyl 2,4-dihydroxy-6-methylbenzoate ChemAxon average_mass 418.4801 ChemAxon mono_mass 418.199153314 ChemAxon smiles CC1=CC(O)=CC(O)=C1C(=O)OCC1=CC2CC(C)(C)C(O)C2C2(C)CC(O)C12O ChemAxon formula C23H30O7 ChemAxon inchi InChI=1S/C23H30O7/c1-11-5-14(24)7-15(25)17(11)20(28)30-10-13-6-12-8-21(2,3)19(27)18(12)22(4)9-16(26)23(13,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3 ChemAxon inchikey OEBGQVIRXPDBGY-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 110.47 ChemAxon polarizability 44.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23281 Specdb::CMs 42452 Specdb::CMs 133079 Specdb::CMs 140813 Specdb::MsMs 105279 Specdb::MsMs 105280 Specdb::MsMs 105281 Specdb::MsMs 171744 Specdb::MsMs 171745 Specdb::MsMs 171746 Specdb::MsMs 2829898 Specdb::MsMs 2829899 Specdb::MsMs 2829900 Specdb::MsMs 2852902 Specdb::MsMs 2852903 Specdb::MsMs 2852904 HMDB31368 #<Reference:0x000055ce3064e278> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322