1.0 2010-04-08 22:14:05 UTC 2019-11-26 03:17:00 UTC FDB019034 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid Constituent of Cajanus cajan (pigeon pea). 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid is found in pulses. 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid 2-Hydroxy-4-methoxy-3-prenyl-6-styrylbenzoic acid C21H22O4 338.397 338.151809192 2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-[(E)-2-phenylethenyl]benzoic acid 2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-[(E)-2-phenylethenyl]benzoic acid 87402-84-4 COC1=C(CC=C(C)C)C(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1 InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+ XPDYDSQPCFQSLH-ZHACJKMWSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides P-methoxybenzoic acids and derivatives Phenoxy compounds Salicylic acids Styrenes Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Hydroxybenzoic acid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-methoxybenzoic acid or derivatives Phenol Phenol ether Phenoxy compound Salicylic acid Salicylic acid or derivatives Stilbene Styrene Vinylogous acid logp 4.86 ALOGPS logs -4.77 ALOGPS solubility 5.74e-03 g/l ALOGPS melting_point Mp 150-165° logp 5.89 ChemAxon pka_strongest_acidic 2.78 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-[(E)-2-phenylethenyl]benzoic acid ChemAxon average_mass 338.397 ChemAxon mono_mass 338.151809192 ChemAxon smiles COC1=C(CC=C(C)C)C(O)=C(C(O)=O)C(\C=C\C2=CC=CC=C2)=C1 ChemAxon formula C21H22O4 ChemAxon inchi InChI=1S/C21H22O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3,(H,23,24)/b11-10+ ChemAxon inchikey XPDYDSQPCFQSLH-ZHACJKMWSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 101.46 ChemAxon polarizability 38.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12069 Specdb::CMs 46406 Specdb::CMs 155609 Specdb::MsMs 105021 Specdb::MsMs 105022 Specdb::MsMs 105023 Specdb::MsMs 171420 Specdb::MsMs 171421 Specdb::MsMs 171422 Specdb::MsMs 2398236 Specdb::MsMs 2398237 Specdb::MsMs 2398238 Specdb::MsMs 2537141 Specdb::MsMs 2537142 Specdb::MsMs 2537143 HMDB39438 #<Reference:0x000055ce302bdb40> Pulses Unknown generic