1.0 2010-04-08 22:11:20 UTC 2025-11-19 00:47:43 UTC FDB014558 Thellungianin G Constituent of Pimpinella anisum (aniseed). Thellungianin G is found in anise. 2-(1',2'-Epoxypropyl)-4-methoxyphenyl 2-methylbutanoate 4-Methoxy-2-(3-methyl-2-oxiranyl)phenyl 2-methylbutanoate EPB Epoxypseudobisoeugenyl-2-methylbutyrate Epoxypseudoisoeugenol 2-methylbutanoate epoxypseudoisoeugenol-2-methylbutyrate Thellungianin G C15H20O4 264.3169 264.136159128 4-methoxy-2-(3-methyloxiran-2-yl)phenyl 2-methylbutanoate 4-methoxy-2-(3-methyloxiran-2-yl)phenyl 2-methylbutanoate 97180-28-4 CCC(C)C(=O)OC1=C(C=C(OC)C=C1)C1OC1C InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3 VXWVNVFBEJTTKA-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Phenol esters Organic compounds Benzenoids Phenol esters Aromatic heteromonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Dialkyl ethers Epoxides Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Phenol ester Phenol ether Phenoxy compound a phenylpropanoid logp 3.42 ALOGPS logs -3.27 ALOGPS solubility 1.41e-01 g/l ALOGPS logp 3.29 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-methoxy-2-(3-methyloxiran-2-yl)phenyl 2-methylbutanoate ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CCC(C)C(=O)OC1=C(C=C(OC)C=C1)C1OC1C ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3 ChemAxon inchikey VXWVNVFBEJTTKA-UHFFFAOYSA-N ChemAxon polar_surface_area 48.06 ChemAxon refractivity 71.14 ChemAxon polarizability 28.81 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18509 Specdb::CMs 136782 Specdb::CMs 144516 Specdb::MsMs 66390 Specdb::MsMs 66391 Specdb::MsMs 66392 Specdb::MsMs 123945 Specdb::MsMs 123946 Specdb::MsMs 123947 Specdb::MsMs 2838546 Specdb::MsMs 2838547 Specdb::MsMs 2838548 Specdb::MsMs 2867799 Specdb::MsMs 2867800 Specdb::MsMs 2867801 HMDB35805 #<Reference:0x000055ce3225fa48> Anise Type 1 specific Pimpinella anisum 271192