1.0 2010-04-08 22:11:58 UTC 2019-11-26 03:11:59 UTC FDB015646 Yucalexin B16 Constituent of Manihot esculenta (cassava). Yucalexin B16 is found in root vegetables. (Phenylamino)-N-(2-phenylethyl)carboxamide 1-phenyl-3-(2-phenylethyl)urea ent-15-Beyerene-3,12-dione Yucalexin B16 C20H28O2 300.4351 300.20893014 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,12-dione 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,12-dione 88048-00-4 CC12CC3(CCC4C(C)(C)C(=O)CCC4(C)C3CC1=O)C=C2 InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3 ZUZSPZMYVHKHKO-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 3.22 ALOGPS logs -4.81 ALOGPS solubility 4.66e-03 g/l ALOGPS melting_point Mp 70-73° logp 4.28 ChemAxon pka_strongest_acidic 19.35 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-6,12-dione ChemAxon average_mass 300.4351 ChemAxon mono_mass 300.20893014 ChemAxon smiles CC12CC3(CCC4C(C)(C)C(=O)CCC4(C)C3CC1=O)C=C2 ChemAxon formula C20H28O2 ChemAxon inchi InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3 ChemAxon inchikey ZUZSPZMYVHKHKO-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 88.3 ChemAxon polarizability 34.77 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24599 Specdb::CMs 164087 Specdb::MsMs 48600 Specdb::MsMs 48601 Specdb::MsMs 48602 Specdb::MsMs 136185 Specdb::MsMs 136186 Specdb::MsMs 136187 Specdb::MsMs 2733627 Specdb::MsMs 2733628 Specdb::MsMs 2733629 Specdb::MsMs 2971437 Specdb::MsMs 2971438 Specdb::MsMs 2971439 HMDB36710 #<Reference:0x000055ce334d7e28> Root vegetables Unknown generic