1.0 2010-04-08 22:14:16 UTC 2019-11-26 03:17:22 UTC FDB019316 Oryzalexin S Constituent of rice plants infected with Pyricularia oryzae. Oryzalexin S is found in cereals and cereal products and rice. Oryzalexin S C20H32O2 304.4669 304.240230268 6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadec-11-en-4-ol 6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadec-11-en-4-ol 143437-61-0 CC1=CC2CCC3C(C)(CO)CC(O)CC3(C)C22CCC1C2 InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3 OXKYBEZXRLIPKC-UHFFFAOYSA-N belongs to the class of organic compounds known as stemarane diterpenoids. These are diterpenoids with a structure characterized by a stemarane skeleton. Some characteristics include the bicyclic system C/D that is constituted by a bicyclo[3.2.1]octane fused to the bicyclic A/B system in a different fashion with respect to other tetracyclic diterpenes possessing the bicyclo[3.2.1]octane system. Moreover, the two contiguous quaternary carbon atoms, C(9) and C(10), are present, the former being a spirocyclic atom. Oxygenation can happen at positions C(2), C(7), C(13), C(17), C(18), and C(19). Stemarane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Stemarane diterpenoid logp 3.29 ALOGPS logs -3.89 ALOGPS solubility 3.94e-02 g/l ALOGPS melting_point Mp 173° logp 2.89 ChemAxon pka_strongest_acidic 14.86 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadec-11-en-4-ol ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles CC1=CC2CCC3C(C)(CO)CC(O)CC3(C)C22CCC1C2 ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-13-8-15-4-5-17-18(2,12-21)10-16(22)11-19(17,3)20(15)7-6-14(13)9-20/h8,14-17,21-22H,4-7,9-12H2,1-3H3 ChemAxon inchikey OXKYBEZXRLIPKC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 90.16 ChemAxon polarizability 36.4 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24945 Specdb::CMs 46512 Specdb::CMs 167605 Specdb::MsMs 74652 Specdb::MsMs 74653 Specdb::MsMs 74654 Specdb::MsMs 134097 Specdb::MsMs 134098 Specdb::MsMs 134099 Specdb::MsMs 2468710 Specdb::MsMs 2468711 Specdb::MsMs 2468712 Specdb::MsMs 2492924 Specdb::MsMs 2492925 Specdb::MsMs 2492926 HMDB39687 #<Reference:0x000055ce3264f450> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Rice Type 1 specific Oryza sativa 4530