1.0 2010-04-08 22:11:44 UTC 2019-11-26 03:11:20 UTC FDB015246 (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol Isolated from rice bran. (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. C26H38O2 382.5787 382.28718046 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1 InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+ GJJVAFUKOBZPCB-ZGRPYONQSA-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 7.68 ALOGPS logs -5.68 ALOGPS solubility 7.93e-04 g/l ALOGPS logp 7.75 ChemAxon pka_strongest_acidic 10.01 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol ChemAxon average_mass 382.5787 ChemAxon mono_mass 382.28718046 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1 ChemAxon formula C26H38O2 ChemAxon inchi InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+ ChemAxon inchikey GJJVAFUKOBZPCB-ZGRPYONQSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 122.8 ChemAxon polarizability 48.12 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19569 Specdb::CMs 44837 Specdb::CMs 164907 Specdb::MsMs 64839 Specdb::MsMs 64840 Specdb::MsMs 64841 Specdb::MsMs 122109 Specdb::MsMs 122110 Specdb::MsMs 122111 Specdb::MsMs 3040273 Specdb::MsMs 3040274 Specdb::MsMs 3040275 Specdb::MsMs 3103208 Specdb::MsMs 3103209 Specdb::MsMs 3103210 HMDB36368 #<Reference:0x000055ce32ce97e8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic