1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:10 UTC FDB013846 Yucalexin B5 Constituent of cassava roots Manihot esculenta. Yucalexin B5 is found in root vegetables. ent-15-Beyerene-2,3,12-trione ent-2-Hydroxy-1,15-beyeradiene-3,12-dione Yucalexin B5 C20H26O3 314.4186 314.188194698 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,7,12-trione 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,7,12-trione 50719-31-8 CC12CC3(CCC4C(C)(C)C(=O)C(=O)CC4(C)C3CC1=O)C=C2 InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14H,5-6,9-11H2,1-4H3 KYOFWFWEZCLKDW-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 Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Beyerane diterpenoid Carbonyl group Cyclic ketone Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 2.78 ALOGPS logs -4.91 ALOGPS solubility 3.91e-03 g/l ALOGPS melting_point Mp 170-173° logp 4.12 ChemAxon pka_strongest_acidic 17.56 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,7,12-trione ChemAxon average_mass 314.4186 ChemAxon mono_mass 314.188194698 ChemAxon smiles CC12CC3(CCC4C(C)(C)C(=O)C(=O)CC4(C)C3CC1=O)C=C2 ChemAxon formula C20H26O3 ChemAxon inchi InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,13-14H,5-6,9-11H2,1-4H3 ChemAxon inchikey KYOFWFWEZCLKDW-UHFFFAOYSA-N ChemAxon polar_surface_area 51.21 ChemAxon refractivity 89.04 ChemAxon polarizability 34.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9433 Specdb::CMs 175140 Specdb::MsMs 61647 Specdb::MsMs 61648 Specdb::MsMs 61649 Specdb::MsMs 118215 Specdb::MsMs 118216 Specdb::MsMs 118217 Specdb::MsMs 2660593 Specdb::MsMs 2660594 Specdb::MsMs 2660595 Specdb::MsMs 3018879 Specdb::MsMs 3018880 Specdb::MsMs 3018881 HMDB35200 #<Reference:0x000055ce3105e100> Root vegetables Unknown generic