1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:06 UTC FDB015718 Yucalexin A19 Constituent of cassava roots (Manihot esculenta). Yucalexin A19 is found in root vegetables. Yucalexin A19 C20H30O3 318.4504 318.219494826 6,16-dihydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-7-one 6,16-dihydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-7-one 119642-83-0 CC1(C)C(O)C(=O)CC2(C)C1CCC13CC(C)(O)C(CC21)C=C3 InChI=1S/C20H30O3/c1-17(2)14-6-8-20-7-5-12(19(4,23)11-20)9-15(20)18(14,3)10-13(21)16(17)22/h5,7,12,14-16,22-23H,6,8-11H2,1-4H3 JHXMMAKVDKZILM-UHFFFAOYSA-N belongs to the class of organic compounds known as atisane diterpenoids. These are diterpenoids with a structure based on the atisane skeleton, which is a tetracyclic compound containing the [2,2,2]bicyc1ic ring system with the C15-C16 bridge attached at C12. Atisane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Alkaloids and derivatives Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Alkaloid or derivatives Atisane diterpenoid Carbonyl group Cyclic alcohol Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol logp 2.55 ALOGPS logs -3.84 ALOGPS solubility 4.65e-02 g/l ALOGPS logp 2.39 ChemAxon pka_strongest_acidic 12.97 ChemAxon pka_strongest_basic -0.72 ChemAxon iupac 6,16-dihydroxy-5,5,9,16-tetramethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadec-13-en-7-one ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC1(C)C(O)C(=O)CC2(C)C1CCC13CC(C)(O)C(CC21)C=C3 ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-17(2)14-6-8-20-7-5-12(19(4,23)11-20)9-15(20)18(14,3)10-13(21)16(17)22/h5,7,12,14-16,22-23H,6,8-11H2,1-4H3 ChemAxon inchikey JHXMMAKVDKZILM-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 90.65 ChemAxon polarizability 35.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24716 Specdb::CMs 45031 Specdb::CMs 153657 Specdb::MsMs 78297 Specdb::MsMs 78298 Specdb::MsMs 78299 Specdb::MsMs 138618 Specdb::MsMs 138619 Specdb::MsMs 138620 Specdb::MsMs 2307177 Specdb::MsMs 2307178 Specdb::MsMs 2307179 Specdb::MsMs 3062530 Specdb::MsMs 3062531 Specdb::MsMs 3062532 HMDB36776 #<Reference:0x000055ce3293b088> Root vegetables Unknown generic