1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:25 UTC FDB015899 Grandiflorolic acid Constituent of Aralia cordata (udo). Grandiflorolic acid is found in sunflower and green vegetables. Gradifloric acid Grandifloric acid Grandiflorolic acid C20H30O3 318.4504 318.219494826 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid 22338-69-8 CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3O)C(O)=O InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23) GVGJRXSJJHLPGZ-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 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 Secondary alcohol logp 3.29 ALOGPS logs -4.15 ALOGPS solubility 2.25e-02 g/l ALOGPS melting_point Mp 216-218° logp 3.73 ChemAxon pka_strongest_acidic 4.7 ChemAxon pka_strongest_basic -0.74 ChemAxon iupac 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid ChemAxon average_mass 318.4504 ChemAxon mono_mass 318.219494826 ChemAxon smiles CC12CCCC(C)(C1CCC13CC(CCC21)C(=C)C3O)C(O)=O ChemAxon formula C20H30O3 ChemAxon inchi InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23) ChemAxon inchikey GVGJRXSJJHLPGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 88.73 ChemAxon polarizability 36.24 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16308 Specdb::CMs 45133 Specdb::CMs 167486 Specdb::MsMs 11870 Specdb::MsMs 11871 Specdb::MsMs 11872 Specdb::MsMs 18542 Specdb::MsMs 18543 Specdb::MsMs 18544 Specdb::MsMs 2709185 Specdb::MsMs 2709186 Specdb::MsMs 2709187 Specdb::MsMs 3000427 Specdb::MsMs 3000428 Specdb::MsMs 3000429 HMDB36930 #<Reference:0x000055ce317cd738> Green vegetables Unknown generic Sunflower Type 1 specific Helianthus annuus 4232 Allelopathic 42 Anti feedant 275 Anti trypanosomic 669 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Larvicide 1063 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Utero tonic 1405 Any substance introduced into a living organism with therapeutic or diagnostic purpose.