1.0 2010-04-08 22:11:37 UTC 2025-11-19 00:52:16 UTC FDB015060 Alkhanin Isolated from Balsamita major (costmary). Alkhanin is found in tea and herbs and spices. [3S-(3alpha,3aalpha,5abeta,6alpha,9bbeta)]-3a,5,5a,6,7,9b-Hexahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione 1a-Hydroxy-3-oxo-4-eudesmen-12,6a-olide Alhanin Alkhanin Dehydroisoerivanin C15H20O4 264.3169 264.136159128 6-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione 6-hydroxy-3,5a,9-trimethyl-3H,3aH,4H,5H,6H,7H,9bH-naphtho[1,2-b]furan-2,8-dione 71327-31-6 CC1C2CCC3(C)C(O)CC(=O)C(C)=C3C2OC1=O InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9,11,13,17H,4-6H2,1-3H3 RARZBOWMYCHUMB-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Eudesmanolides, secoeudesmanolides, and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclohexenones Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 1.13 ALOGPS logs -2.32 ALOGPS solubility 1.26e+00 g/l ALOGPS melting_point Mp 201-203° (189-191°) logp 1.53 ChemAxon pka_strongest_acidic 14.44 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1C2CCC3(C)C(O)CC(=O)C(C)=C3C2OC1=O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9,11,13,17H,4-6H2,1-3H3 ChemAxon inchikey RARZBOWMYCHUMB-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 69.1 ChemAxon polarizability 28.05 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17014 Specdb::CMs 44772 Specdb::CMs 159361 Specdb::MsMs 13094 Specdb::MsMs 13095 Specdb::MsMs 13096 Specdb::MsMs 19766 Specdb::MsMs 19767 Specdb::MsMs 19768 Specdb::MsMs 2660344 Specdb::MsMs 2660345 Specdb::MsMs 2660346 Specdb::MsMs 3018693 Specdb::MsMs 3018694 Specdb::MsMs 3018695 HMDB36202 #<Reference:0x000055ce31635cb8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442