EcoDrugPlus


Synonyms	3-(4-Methoxyphenyl)Acrylic Acid 4-Methoxycinnamic Acid Para-Methoxycinnamic Acid
Molecule Category	Free-form
UNII	6G4ML8401A
EPA CompTox	DTXSID4048147
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

3-(4-Methoxyphenyl)Acrylic Acid

4-Methoxycinnamic Acid

Para-Methoxycinnamic Acid

Molecule Category

Free-form

UNII

6G4ML8401A

EPA CompTox

DTXSID4048147

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	AFDXODALSZRGIH-QPJJXVBHSA-N
Smiles	COc1ccc(\C=C\C(=O)O)cc1
InChI	InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

InChI Key

AFDXODALSZRGIH-QPJJXVBHSA-N

Smiles

COc1ccc(\C=C\C(=O)O)cc1

InChI

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

Property Name	Value
Molecular Formula	C10H10O3
Molecular Weight	178.18
AlogP	1.91
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	46.53
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H10O3

Molecular Weight

178.18

AlogP

1.91

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

46.53

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

13.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Raphanus sativus	-	-	-	-	56.66-93.33

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Raphanus sativus

56.66-93.33

Resources	Reference
CAS NUMBER	830-09-1
ChEMBL	CHEMBL95770
FDA SRS	6G4ML8401A
PubChem	699414
SureChEMBL	SCHEMBL58699

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-METHOXYCINNAMIC ACID

Structure

Physicochemical Descriptors

Pharmacology

Cross References