1.0 2020-03-10 16:58:51 UTC 2020-04-22 18:55:10 UTC BMDB0095958 BMDB95958 9'-Carboxy-alpha-tocotrienol 9'-Carboxy-a-tocotrienol 9'-Carboxy-α-tocotrienol alpha-CDMOenHC (2E,6E)-9-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoate C24H34O4 386.5244 386.245709576 (2E,6E)-9-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid (2E,6E)-9-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1 MEZYOZBFEXYIKB-ASKDMKCJSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Bicyclic monoterpenoids 1-benzopyrans Alkyl aryl ethers Aromatic monoterpenoids Benzenoids Carbonyl compounds Carboxylic acids Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Unsaturated fatty acids 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzopyran Bicyclic monoterpenoid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromane Ether Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Unsaturated fatty acid Aromatic heteropolycyclic compounds logp 5.36 ALOGPS logs -5.60 ALOGPS logp 6.82 ChemAxon pka_strongest_acidic 5.01 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E,6E)-9-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid ChemAxon average_mass 386.5244 ChemAxon mono_mass 386.245709576 ChemAxon smiles C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C ChemAxon formula C24H34O4 ChemAxon inchi InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1 ChemAxon inchikey MEZYOZBFEXYIKB-ASKDMKCJSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 115.84 ChemAxon polarizability 46.22 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 9931 Specdb::CMs 40008 Specdb::CMs 137039 Specdb::CMs 144773 Specdb::MsMs 287968 Specdb::MsMs 287969 Specdb::MsMs 287970 Specdb::MsMs 326947 Specdb::MsMs 326948 Specdb::MsMs 326949 Specdb::MsMs 2669122 Specdb::MsMs 2669123 Specdb::MsMs 2669124 Specdb::MsMs 3008818 Specdb::MsMs 3008819 Specdb::MsMs 3008820 FDB029191 30776650 175091 53481535