1.0 2010-04-08 22:10:39 UTC 2019-11-26 03:08:18 UTC FDB013332 Nordihydrocapsiate Constituent of fruits of Capsicum annuum. Nordihydrocapsiate is found in many foods, some of which are green bell pepper, herbs and spices, fruits, and orange bell pepper. 4-Hydroxy-3-methoxybenzyl 7-methyloctanoate Nordihydrocapsiate C17H26O4 294.3859 294.18310932 (4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate (4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate COC1=C(O)C=CC(COC(=O)CCCCCC(C)C)=C1 InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3 BXBVPYSHEOQGHP-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzyloxycarbonyls Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 4.54 ALOGPS logs -3.91 ALOGPS solubility 3.60e-02 g/l ALOGPS logp 4.4 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate ChemAxon average_mass 294.3859 ChemAxon mono_mass 294.18310932 ChemAxon smiles COC1=C(O)C=CC(COC(=O)CCCCCC(C)C)=C1 ChemAxon formula C17H26O4 ChemAxon inchi InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3 ChemAxon inchikey BXBVPYSHEOQGHP-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 82.65 ChemAxon polarizability 34.11 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26542 Specdb::CMs 44043 Specdb::CMs 137507 Specdb::CMs 145241 Specdb::MsMs 100149 Specdb::MsMs 100150 Specdb::MsMs 100151 Specdb::MsMs 165396 Specdb::MsMs 165397 Specdb::MsMs 165398 Specdb::MsMs 2679709 Specdb::MsMs 2679710 Specdb::MsMs 2679711 Specdb::MsMs 3026466 Specdb::MsMs 3026467 Specdb::MsMs 3026468 HMDB34779 #<Reference:0x000055ce33428518> Fruits Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072