1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:18 UTC FDB001859 Oryzalexin D Oryzalexin d, also known as 3alpha,7beta-dihydroxy-ent-sandaracopimaradiene or ent-sandaracopimaradien-3alpha,7beta-diol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin d is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzalexin d can be found in rice, which makes oryzalexin d a potential biomarker for the consumption of this food product. (+)-Oryzalexin D 3,7-Dihydroxy-(+)-sandaracopimaradiene C20H32O2 304.4669 304.240230268 (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,9-diol (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,9-diol 110268-98-9 [H][C@@]12CC[C@@](C)(C=C)C=C1[C@@H](O)C[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C InChI=1S/C20H32O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-17,21-22H,1,7-11H2,2-5H3/t14-,15+,16-,17-,19-,20+/m1/s1 HRWWBCRSPUEXDM-XTMWUNHTSA-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 Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Hydrophenanthrenes Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Diterpenoid Hydrocarbon derivative Hydrophenanthrene Organic oxygen compound Organooxygen compound Phenanthrene Pimarane diterpenoid Secondary alcohol tricyclic diterpenoid logp 3.66 ALOGPS logs -4.27 ALOGPS solubility 1.62e-02 g/l ALOGPS logp 3.41 ChemAxon pka_strongest_acidic 18.94 ChemAxon pka_strongest_basic -0.64 ChemAxon iupac (2R,4aR,4bS,7S,9S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,9-diol ChemAxon average_mass 304.4669 ChemAxon mono_mass 304.240230268 ChemAxon smiles [H][C@@]12CC[C@@](C)(C=C)C=C1[C@@H](O)C[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C ChemAxon formula C20H32O2 ChemAxon inchi InChI=1S/C20H32O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-17,21-22H,1,7-11H2,2-5H3/t14-,15+,16-,17-,19-,20+/m1/s1 ChemAxon inchikey HRWWBCRSPUEXDM-XTMWUNHTSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 91.65 ChemAxon polarizability 36.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71664 Specdb::MsMs 71665 Specdb::MsMs 71666 Specdb::MsMs 130371 Specdb::MsMs 130372 Specdb::MsMs 130373 Specdb::MsMs 3598801 Specdb::MsMs 3598802 Specdb::MsMs 3598803 Specdb::MsMs 3598804 Specdb::MsMs 3598805 Specdb::MsMs 3598806 Rice Type 1 specific Oryza sativa 4530