PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Isoferulic acid
PCNDIDI0067
Pubchem CID : 736186
Molecular formula: C10H10O4

Molecular weight : 194.180

Canonical SMILES : COC1=C(C=C(C=C1)C=CC(=O)O)O

Synonymes : Isoferulic acid|3-Hydroxy-4-methoxycinnamic acid|537-73-5|Hesperetic acid|25522-33-2|3-(3-Hydroxy-4-methoxyphenyl)acrylic acid|trans-Isoferulic acid|(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid|Isoferulate|(E)-3-(3-hydroxy-4-methoxyphenyl)acrylic acid|2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-|Cinnamic acid, 3-hydroxy-4-methoxy-|Hesperetate|3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid|UNII-XSQ2K2G7MC|XSQ2K2G7MC|3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid|(E)-3'-Hydroxy-4'-methoxycinnamic acid|CHEBI:27794|EINECS 208-676-0|NSC 51987|NSC-51987|BRN 2212760|(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid|4-O-METHYLCAFFEIC ACID|CHEMBL233295|4-10-00-01777 (Beilstein Handbook Reference)|(E)-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid|EINECS 247-071-6|trans-3-Hydroxy-4-methoxycinnamic acid|3-Hydroxy-4-methoxycinnamic acid (isoferulic acid)|(2E)-3-(3-HYDROXY-4-METHOXYPHENYL)ACRYLIC ACID|3-[3-Hydroxy-4-(methoxy-d3)phenyl]-2-propenoic Acid|3-Hydroxy-4-methoxycinnamate|3-hydroxy-4-methoxy-cinnamic acid|Isoferulasaure|DTXSID501009309|Hesperetinic acid|Isoferulic Acid ,(S)|bmse000618|D04EWW|MLS000563054|SCHEMBL249041|SCHEMBL249042|3-hydroxy-4-methoxy-Cinnamate|3-Hydroxy-4-methoxycinnamic acid, predominantly trans|GTPL7980|3-Hydroxy-4-methoxycinnamic-acid|DTXCID90908460|DTXSID901314847|HMS2268G06|HY-N0761|NSC51987|STR05122|BBL036268|BDBM50241245|MFCD00004391|s3764|STL186177|AKOS000141174|CCG-266533|CS-W020120|DB07109|2-Hydoxy-4-methoxy-5-sulfobenzophenone|NCGC00247490-01|NCGC00247490-02|AC-34927|MS-11465|SMR001215828|trans-Isoferulic acid, analytical standard|3-(3-hydroxy-4-methoxyphenyl)-2-Propenoate|AM20040660|H0524|EN300-50983|(E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid|EN300-331979|Q-100609|ISOFERULIC ACID (CONSTITUENT OF BLACK COHOSH)|Q27096447|Z2693271860|(2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid #|3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97%|ISOFERULIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]|(E)-4-Hydroxy-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one|4FE

Structure
3D structure 2D structure
736186
Predicted properties (NCBI Pubchem)

Physicochemical Properties