EcoDrugPlus


Synonyms	6-(Pentadecyl)Salicylic Acid 6-Pentadecatrienylsalicylic Acid Anacardic Acid Anarcadic Acid
Molecule Category	Free-form
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

6-(Pentadecyl)Salicylic Acid

6-Pentadecatrienylsalicylic Acid

Anacardic Acid

Anarcadic Acid

Molecule Category

Free-form

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	ADFWQBGTDJIESE-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChI	InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)

InChI Key

ADFWQBGTDJIESE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O

InChI

InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)

Property Name	Value
Molecular Formula	C22H36O3
Molecular Weight	348.52
AlogP	8.09
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H36O3

Molecular Weight

348.52

AlogP

8.09

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

57.53

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL33778
PubChem	167551
SureChEMBL	SCHEMBL627981

Resources

Reference

ChEMBL

CHEMBL33778

PubChem

167551

SureChEMBL

SCHEMBL627981

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

ANACARDIC ACID

Structure

Physicochemical Descriptors

Cross References