1.0 2010-04-08 22:14:22 UTC 2025-11-19 02:19:51 UTC FDB019462 Cyclocalopin C1 Isolated from Boletus radicans. Cyclocalopin C1 is found in mushrooms. C15H20O6 296.3157 296.125988372 2',5,6-trihydroxy-2',4'-dimethyl-4-methylidene-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-2-en-7'-one 2',5,6-trihydroxy-2',4'-dimethyl-4-methylidene-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-2-en-7'-one CC1COC(=O)C2OC(C)(O)C3(C=CC(=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/h4-5,8-12,16-17,19H,1,6H2,2-3H3 JCKVAXRAVFAUJA-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 1,2-diols Carbonyl compounds Carboxylic acid esters Delta valerolactones Furans Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Furan Furopyran Hemiacetal Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Tetrahydrofuran logp -0.13 ALOGPS logs -1.11 ALOGPS solubility 2.30e+01 g/l ALOGPS logp -0.45 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2',5,6-trihydroxy-2',4'-dimethyl-4-methylidene-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-2-en-7'-one ChemAxon average_mass 296.3157 ChemAxon mono_mass 296.125988372 ChemAxon smiles CC1COC(=O)C2OC(C)(O)C3(C=CC(=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/h4-5,8-12,16-17,19H,1,6H2,2-3H3 ChemAxon inchikey JCKVAXRAVFAUJA-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 73.45 ChemAxon polarizability 29.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12143 Specdb::CMs 46579 Specdb::CMs 170004 Specdb::MsMs 92553 Specdb::MsMs 92554 Specdb::MsMs 92555 Specdb::MsMs 156198 Specdb::MsMs 156199 Specdb::MsMs 156200 Specdb::MsMs 2785954 Specdb::MsMs 2785955 Specdb::MsMs 2785956 Specdb::MsMs 2922919 Specdb::MsMs 2922920 Specdb::MsMs 2922921 Specdb::NmrOneD 36082 Specdb::NmrOneD 36083 Specdb::NmrOneD 36084 Specdb::NmrOneD 36085 Specdb::NmrOneD 36086 Specdb::NmrOneD 36087 Specdb::NmrOneD 36088 Specdb::NmrOneD 36089 Specdb::NmrOneD 36090 Specdb::NmrOneD 36091 Specdb::NmrOneD 36092 Specdb::NmrOneD 36093 Specdb::NmrOneD 36094 Specdb::NmrOneD 36095 Specdb::NmrOneD 36096 Specdb::NmrOneD 36097 Specdb::NmrOneD 36098 Specdb::NmrOneD 36099 Specdb::NmrOneD 36100 Specdb::NmrOneD 36101 HMDB0039812 Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322