1.0 2010-04-08 22:14:15 UTC 2025-11-19 02:18:35 UTC FDB019272 Heliannuol A Constituent of Helianthus annuus (sunflower). Heliannuol A is found in sunflower and fats and oils. (-)-Heliannuol A Heliannuol A C15H22O3 250.3334 250.15689457 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocine-3,8-diol 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-3,8-diol 148054-17-5 CC1CCC(O)C(C)(C)OC2=C1C=C(O)C(C)=C2 InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3 FWVBSUZWRAYTJB-UHFFFAOYSA-N belongs to the class of organic compounds known as oxocins. Oxocins are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms. Oxocins Organic compounds Organoheterocyclic compounds Oxocins Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxocin Secondary alcohol logp 3.33 ALOGPS logs -2.63 ALOGPS solubility 5.91e-01 g/l ALOGPS melting_point Mp 80-81° logp 3.31 ChemAxon pka_strongest_acidic 10.33 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocine-3,8-diol ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC1CCC(O)C(C)(C)OC2=C1C=C(O)C(C)=C2 ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-9-5-6-14(17)15(3,4)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3 ChemAxon inchikey FWVBSUZWRAYTJB-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 71.62 ChemAxon polarizability 28.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82113 Specdb::MsMs 82114 Specdb::MsMs 82115 Specdb::MsMs 143382 Specdb::MsMs 143383 Specdb::MsMs 143384 Specdb::MsMs 2675926 Specdb::MsMs 2675927 Specdb::MsMs 2675928 Specdb::MsMs 3029081 Specdb::MsMs 3029082 Specdb::MsMs 3029083 Specdb::CMs 15373 Specdb::CMs 46503 Specdb::CMs 159609 HMDB39644 #<Reference:0x00007f093c19c570> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232