1.0 2010-04-08 22:11:58 UTC 2019-11-26 03:11:58 UTC FDB015637 6alpha,7alpha,12alpha-Trihydroxykaurenoic acid Constituent of Cucurbita maxima. 6alpha,7alpha,12alpha-Trihydroxykaurenoic acid is found in fruits and japanese pumpkin. (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid C20H30O5 350.4492 350.20932407 2,3,12-trihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 2,3,12-trihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 90806-33-0 CC12CCCC(C)(C1C(O)C(O)C13CC(C(O)CC21)C(=C)C3)C(O)=O InChI=1S/C20H30O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(22)16(20)23/h11-16,21-23H,1,4-9H2,2-3H3,(H,24,25) GDUDOACZUAVXMK-UHFFFAOYSA-N belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Kaurane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 0.99 ALOGPS logs -2.00 ALOGPS solubility 3.49e+00 g/l ALOGPS logp 1.27 ChemAxon pka_strongest_acidic 4.47 ChemAxon pka_strongest_basic -0.89 ChemAxon iupac 2,3,12-trihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid ChemAxon average_mass 350.4492 ChemAxon mono_mass 350.20932407 ChemAxon smiles CC12CCCC(C)(C1C(O)C(O)C13CC(C(O)CC21)C(=C)C3)C(O)=O ChemAxon formula C20H30O5 ChemAxon inchi InChI=1S/C20H30O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(22)16(20)23/h11-16,21-23H,1,4-9H2,2-3H3,(H,24,25) ChemAxon inchikey GDUDOACZUAVXMK-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 91.76 ChemAxon polarizability 37.94 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21431 Specdb::CMs 44984 Specdb::CMs 146952 Specdb::MsMs 57048 Specdb::MsMs 57049 Specdb::MsMs 57050 Specdb::MsMs 112614 Specdb::MsMs 112615 Specdb::MsMs 112616 Specdb::MsMs 3043876 Specdb::MsMs 3043877 Specdb::MsMs 3043878 Specdb::MsMs 3099916 Specdb::MsMs 3099917 Specdb::MsMs 3099918 HMDB36701 #<Reference:0x000055ce322847a8> Fruits Unknown generic Japanese pumpkin Type 1 specific Cucurbita maxima 3661