1.0 2010-04-08 22:12:58 UTC 2019-11-26 03:14:31 UTC FDB017241 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid Constituent of Citrus roots infected by nematode Tylenchulus semipenetrans. 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid is found in citrus and common sage. 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid C21H30O4 346.4605 346.214409448 (4R,10aR)-6-hydroxy-5-methoxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4-carboxylic acid (4R,10aR)-6-hydroxy-7-isopropyl-5-methoxy-1,1-dimethyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-4-carboxylic acid 313050-47-4 [H][C@@]12CCC3=C(C1[C@@H](CCC2(C)C)C(O)=O)C(OC)=C(O)C(=C3)C(C)C InChI=1S/C21H30O4/c1-11(2)14-10-12-6-7-15-17(16(12)19(25-5)18(14)22)13(20(23)24)8-9-21(15,3)4/h10-11,13,15,17,22H,6-9H2,1-5H3,(H,23,24)/t13-,15-,17?/m1/s1 NNMDIMWITXQKTK-KQSHLBLPSA-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 Aromatic homopolycyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydrophenanthrenes Monocarboxylic acids and derivatives Organic oxides Tetralins Abietane diterpenoid Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Diterpenoid Ether Hydrocarbon derivative Hydrophenanthrene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenanthrene Tetralin logp 4.21 ALOGPS logs -4.20 ALOGPS solubility 2.20e-02 g/l ALOGPS melting_point Mp 140-141° logp 5.02 ChemAxon pka_strongest_acidic 4.46 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (4R,10aR)-6-hydroxy-5-methoxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4-carboxylic acid ChemAxon average_mass 346.4605 ChemAxon mono_mass 346.214409448 ChemAxon smiles [H][C@@]12CCC3=C(C1[C@@H](CCC2(C)C)C(O)=O)C(OC)=C(O)C(=C3)C(C)C ChemAxon formula C21H30O4 ChemAxon inchi InChI=1S/C21H30O4/c1-11(2)14-10-12-6-7-15-17(16(12)19(25-5)18(14)22)13(20(23)24)8-9-21(15,3)4/h10-11,13,15,17,22H,6-9H2,1-5H3,(H,23,24)/t13-,15-,17?/m1/s1 ChemAxon inchikey NNMDIMWITXQKTK-KQSHLBLPSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 97.94 ChemAxon polarizability 39.41 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB38031 #<Reference:0x000055ce324792e8> Citrus Unknown generic Common sage Type 1 specific Salvia officinalis 38868 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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.