1.0 2010-04-08 22:14:22 UTC 2019-11-26 03:17:30 UTC FDB019460 Cyclocalopin A Bitter principle isolated from Boletus calopus and other Boletus subspecies Cyclocalopin A is found in mushrooms. C15H20O6 296.3157 296.125988372 2',6-dihydroxy-2',4,4'-trimethyl-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione 2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12 InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3 OGOHSCJKRSLFLO-UHFFFAOYSA-N belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Furopyrans Organic compounds Organoheterocyclic compounds Furopyrans Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclohexenones Delta valerolactones Furans Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Delta valerolactone Delta_valerolactone Furan Furopyran Hemiacetal Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Pyran Secondary alcohol Tetrahydrofuran logp -0.27 ALOGPS logs -1.58 ALOGPS solubility 7.81e+00 g/l ALOGPS melting_point Mp 165° logp 0.62 ChemAxon pka_strongest_acidic 11.69 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2',6-dihydroxy-2',4,4'-trimethyl-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione ChemAxon average_mass 296.3157 ChemAxon mono_mass 296.125988372 ChemAxon smiles CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12 ChemAxon formula C15H20O6 ChemAxon inchi InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3 ChemAxon inchikey OGOHSCJKRSLFLO-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 72.72 ChemAxon polarizability 29.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11693 Specdb::CMs 46577 Specdb::CMs 164352 Specdb::MsMs 45372 Specdb::MsMs 45373 Specdb::MsMs 45374 Specdb::MsMs 136803 Specdb::MsMs 136804 Specdb::MsMs 136805 Specdb::MsMs 2734265 Specdb::MsMs 2734266 Specdb::MsMs 2734267 Specdb::MsMs 2972082 Specdb::MsMs 2972083 Specdb::MsMs 2972084 Specdb::NmrOneD 36062 Specdb::NmrOneD 36063 Specdb::NmrOneD 36064 Specdb::NmrOneD 36065 Specdb::NmrOneD 36066 Specdb::NmrOneD 36067 Specdb::NmrOneD 36068 Specdb::NmrOneD 36069 Specdb::NmrOneD 36070 Specdb::NmrOneD 36071 Specdb::NmrOneD 36072 Specdb::NmrOneD 36073 Specdb::NmrOneD 36074 Specdb::NmrOneD 36075 Specdb::NmrOneD 36076 Specdb::NmrOneD 36077 Specdb::NmrOneD 36078 Specdb::NmrOneD 36079 Specdb::NmrOneD 36080 Specdb::NmrOneD 36081 HMDB39810 #<Reference:0x000055ce32840638> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322