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Dihydroferulic Acid

PubChem CID: 14340

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Compound Synonyms 1135-23-5, 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid, dihydroferulic acid, Hydroferulic acid, Dihydroconiferylic acid, 3-(4-Hydroxymethyl)propionic acid, Benzenepropanoic acid, 4-hydroxy-3-methoxy-, UNII-O01RNC700M, Dihydro Ferulic Acid, O01RNC700M, EINECS 214-489-5, MFCD00016558, 3-METHOXYPHLORETIC ACID, 3-(4-hydroxy-3-methoxy-phenyl)propanoic acid, CHEBI:86612, DTXSID90150427, .beta.-(4-Hydroxy-3-methoxyphenyl)propionic acid, 3-(3-methoxy-4-hydroxyphenyl)propanoic acid, 3-METHOXY-4-HYDROXYPHENYLPROPIONIC ACID, (4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID, HYDROCINNAMIC ACID, 4-HYDROXY-3-METHOXY-, .BETA.-3-METHOXY-4-HYDROXYPHENYLPROPIONIC ACID, Hydroferulate, Hydroferulic, Shorbic acid, 4-Hydroxy-3-methoxy-benzenepropanoic acid, bmse010023, I+-,I2-Dihydroferulic acid, alpha,beta-Dihydroferulic acid, SCHEMBL347918, CHEMBL387842, DTXCID2072918, HY-N7080, s5135, STK662207, AKOS000166726, CCG-266549, DS-6102, 3-Methoxy-4-hydroxyphenylpropanoic acid, 4-Hydroxy-3-methoxybenzenepropanoic acid, 4-Hydroxy-3-methoxybenzenepropionic acid, SY048397, (4-Hydroxy-3-methoxyphenyl)propanoic acid, Benzenepropanoic acid, 4-hydroxy-3-methoxy, DB-021661, I2-3-Methoxy-4-hydroxyphenylpropanoic acid, 3-(3-methoxy-4-hydroxyphenyl)propionic acid, 4-HYDROXY-3-METHOXYHYDROCINNAMIC ACID, beta-3-Methoxy-4-hydroxyphenylpropanoic acid, CS-0030749, H1180, NS00023690, 3-(4-hydroxy-3-methoxy-phenyl)propionic acid, 3-(4-hydroxy-3-methoxyphenyl)-propionic acid, I2-(4-Hydroxy-3-methoxyphenyl)propanoic acid, 3-(3'-Methoxy-4'-hydroxyphenyl)propanoic acid, 3-(3'-Methoxy-4'-hydroxyphenyl)propionic acid, 3-(4'-Hydroxy-3'-methoxyphenyl)propanoic acid, 3-(4-hydroxy-3-methoxy-phenyl)-propionic acid, 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid #, A50645, beta-(4-Hydroxy-3-methoxyphenyl)propanoic acid, EN300-111281, 3-(4-Hydroxy-3-methoxyphenyl)dihydrocinnamic acid, BETA-3-METHOXY-4-HYDROXYPHENYLPROPIONIC ACID, Q10395564, F1905-6428, Z317038020, 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, >=96.0% (T), 4-Hydroxy-3-methoxybenzenepropanoic acid, 4-Hydroxy-3-methoxyhydrocinnamic acid, b-3-Methoxy-4-hydroxyphenylpropionic acid
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 14.0
Description A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Isotope Atom Count 0.0
Molecular Complexity 193.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., P59534
Iupac Name 3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Prediction Hob 1.0
Xlogp 0.7
Molecular Formula C10H12O4
Prediction Swissadme 1.0
Inchi Key BOLQJTPHPSDZHR-UHFFFAOYSA-N
Fcsp3 0.3
Logs -1.446
Rotatable Bond Count 4.0
Logd 4.05
Compound Name Dihydroferulic Acid
Prediction Hob Swissadme 1.0
Exact Mass 196.074
Formal Charge 0.0
Monoisotopic Mass 196.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 196.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -1.7143952571428571
Inchi InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
Smiles COC1=C(C=CC(=C1)CCC(=O)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0