EcoDrugPlus


Synonyms	3,4,5-Trihydroxy-Benzoic Acid Decyl Ester Decyl 3,4,5-Trihydroxybenzoate Decyl Gallate
Molecule Category	Free-form
UNII	GJW1U497V5
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

3,4,5-Trihydroxy-Benzoic Acid Decyl Ester

Decyl 3,4,5-Trihydroxybenzoate

Decyl Gallate

Molecule Category

Free-form

UNII

GJW1U497V5

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	AOTRKUOCGUXQCY-UHFFFAOYSA-N
Smiles	CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
InChI	InChI=1S/C17H26O5/c1-2-3-4-5-6-7-8-9-10-22-17(21)13-11-14(18)16(20)15(19)12-13/h11-12,18-20H,2-10H2,1H3

InChI Key

AOTRKUOCGUXQCY-UHFFFAOYSA-N

Smiles

CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

InChI

InChI=1S/C17H26O5/c1-2-3-4-5-6-7-8-9-10-22-17(21)13-11-14(18)16(20)15(19)12-13/h11-12,18-20H,2-10H2,1H3

Property Name	Value
Molecular Formula	C17H26O5
Molecular Weight	310.39
AlogP	5.03
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	86.99
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H26O5

Molecular Weight

310.39

AlogP

5.03

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

86.99

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

22.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Coptotermes formosanus	-	0.05	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Coptotermes formosanus

0.05

Resources	Reference
ChEMBL	CHEMBL16101
FDA SRS	GJW1U497V5
PubChem	87956
SureChEMBL	SCHEMBL36930

Resources

Reference

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

DECYL GALLATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References