1.0 2010-04-08 22:14:17 UTC 2019-11-26 03:17:24 UTC FDB019331 Oryzalexin E Phytoalexin from rice leaves. Oryzalexin E is found in rice. Oryzalexin E C20H32O2 304.4669 304.240230268 (2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,4b-diol (2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol 150943-96-7 [H][C@]12CCC3=C[C@@](C)(CC[C@@]3(O)[C@]1(C)CC[C@@H](O)C2(C)C)C=C InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1 RGLTYROISYBKIW-BDUQCRIQSA-N belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. Hydrophenanthrenes Organic compounds Benzenoids Phenanthrenes and derivatives Hydrophenanthrenes Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydrophenanthrene Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol tricyclic diterpenoid logp 3.81 ALOGPS logs -4.50 ALOGPS solubility 9.67e-03 g/l ALOGPS melting_point Mp 123-124° logp 3.64 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.019 ChemAxon iupac (2R,4aR,4bS,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,4b-diol ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles [H][C@]12CCC3=C[C@@](C)(CC[C@@]3(O)[C@]1(C)CC[C@@H](O)C2(C)C)C=C ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-6-18(4)11-12-20(22)14(13-18)7-8-15-17(2,3)16(21)9-10-19(15,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m1/s1 ChemAxon inchikey RGLTYROISYBKIW-BDUQCRIQSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 91.51 ChemAxon polarizability 36.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25435 Specdb::CMs 46522 Specdb::CMs 172949 Specdb::MsMs 70212 Specdb::MsMs 70213 Specdb::MsMs 70214 Specdb::MsMs 128667 Specdb::MsMs 128668 Specdb::MsMs 128669 Specdb::MsMs 2662252 Specdb::MsMs 2662253 Specdb::MsMs 2662254 Specdb::MsMs 3020421 Specdb::MsMs 3020422 Specdb::MsMs 3020423 HMDB39702 #<Reference:0x0000561272009850> Rice Type 1 specific Oryza sativa 4530