1.0 2010-04-08 22:11:29 UTC 2019-11-26 03:10:49 UTC FDB014829 (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol Isolated from rice bran. Antitumour agent and antioxidant. (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. C25H36O2 368.5521 368.271530396 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1CCC2=CC(O)=CC=C2O1 InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+ WSTGHGHPTQPFAP-YARIIHNNSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Diterpenoid Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 7.62 ALOGPS logs -5.54 ALOGPS solubility 1.06e-03 g/l ALOGPS logp 7.47 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol ChemAxon average_mass 368.5521 ChemAxon mono_mass 368.271530396 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1CCC2=CC(O)=CC=C2O1 ChemAxon formula C25H36O2 ChemAxon inchi InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+ ChemAxon inchikey WSTGHGHPTQPFAP-YARIIHNNSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 118.16 ChemAxon polarizability 47 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21962 Specdb::CMs 44687 Specdb::CMs 136753 Specdb::CMs 144487 Specdb::MsMs 62031 Specdb::MsMs 62032 Specdb::MsMs 62033 Specdb::MsMs 118686 Specdb::MsMs 118687 Specdb::MsMs 118688 Specdb::MsMs 2299560 Specdb::MsMs 2299561 Specdb::MsMs 2299562 Specdb::MsMs 2639821 Specdb::MsMs 2639822 Specdb::MsMs 2639823 HMDB36013 #<Reference:0x000055ce332d5d78> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic