1.0 2010-04-08 22:13:39 UTC 2019-11-26 03:16:03 UTC FDB018344 Trilobinone Constituent of Salvia triloba (Greek sage). Trilobinone is found in tea and herbs and spices. Trilobinone C20H28O3 316.4345 316.203844762 3,10-dihydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-one 3,10-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,10-tetrahydro-5H-phenanthren-9-one 128741-29-7 CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2O InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,16,18,21-22H,6-8H2,1-5H3 BXNFTNLOFARFOZ-UHFFFAOYSA-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 homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Hydrophenanthrenes Ketones Organic oxides Secondary alcohols Tetralins 1-hydroxy-2-unsubstituted benzenoid Abietane diterpenoid Alcohol Aromatic homopolycyclic compound Benzenoid Carbonyl group Diterpenoid Hydrocarbon derivative Hydrophenanthrene Ketone Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Secondary alcohol Tetralin logp 4.25 ALOGPS logs -4.05 ALOGPS solubility 2.79e-02 g/l ALOGPS logp 4.62 ChemAxon pka_strongest_acidic 9.86 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3,10-dihydroxy-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-one ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(C)C1C(=O)C2O ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,16,18,21-22H,6-8H2,1-5H3 ChemAxon inchikey BXNFTNLOFARFOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 91.71 ChemAxon polarizability 36.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20290 Specdb::CMs 46128 Specdb::CMs 154259 Specdb::MsMs 54297 Specdb::MsMs 54298 Specdb::MsMs 54299 Specdb::MsMs 112098 Specdb::MsMs 112099 Specdb::MsMs 112100 Specdb::MsMs 2414779 Specdb::MsMs 2414780 Specdb::MsMs 2414781 Specdb::MsMs 2551757 Specdb::MsMs 2551758 Specdb::MsMs 2551759 HMDB38885 #<Reference:0x000055ce3331e640> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442