1.0 2010-04-08 22:11:58 UTC 2019-11-26 03:11:59 UTC FDB015650 Yucalexin B22 Constituent of cassava roots (Manihot esculenta). Yucalexin B22 is found in root vegetables. ent-2a,3b-Dihydroxy-15-beyeren-12-one Yucalexin B22 C20H30O3 318.4504 318.219494826 6,7-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-12-one 6,7-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-12-one 119626-55-0 CC12CC3(CCC4C(C)(C)C(O)C(O)CC4(C)C3CC1=O)C=C2 InChI=1S/C20H30O3/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/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3 ISQMANNAFDGSCG-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 1,2-diols Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols 1,2-diol Alcohol Aliphatic homopolycyclic compound Beyerane diterpenoid Carbonyl group Cyclic alcohol Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 2.43 ALOGPS logs -3.67 ALOGPS solubility 6.77e-02 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 6,7-dihydroxy-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-12-one ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC12CC3(CCC4C(C)(C)C(O)C(O)CC4(C)C3CC1=O)C=C2 ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/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/h7-8,12-14,16,21,23H,5-6,9-11H2,1-4H3 ChemAxon inchikey ISQMANNAFDGSCG-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 90.48 ChemAxon polarizability 36.46 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13497 Specdb::CMs 44992 Specdb::CMs 168664 Specdb::MsMs 45414 Specdb::MsMs 45415 Specdb::MsMs 45416 Specdb::MsMs 117081 Specdb::MsMs 117082 Specdb::MsMs 117083 Specdb::MsMs 2292279 Specdb::MsMs 2292280 Specdb::MsMs 2292281 Specdb::MsMs 2646408 Specdb::MsMs 2646409 Specdb::MsMs 2646410 HMDB36713 #<Reference:0x000055ce316ca1b0> Root vegetables Unknown generic