EcoDrugPlus


Synonyms	AC-1202 AC-1204 Axona CER-0001 Caprylic acid triglyceride Caprylic triglyceride Glyceryl tricaprylate Miglyol 808 NSC-4059 Tricaprilin Tricaprylic glyceride Tricaprylin
Status
Molecule Category	Free-form
UNII	6P92858988
EPA CompTox	DTXSID6021375

Synonyms

AC-1202

AC-1204

Axona

CER-0001

Caprylic acid triglyceride

Caprylic triglyceride

Glyceryl tricaprylate

Miglyol 808

NSC-4059

Tricaprilin

Tricaprylic glyceride

Tricaprylin

Status

Molecule Category

Free-form

UNII

6P92858988

EPA CompTox

DTXSID6021375


InChI Key	VLPFTAMPNXLGLX-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI	InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

InChI Key

VLPFTAMPNXLGLX-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

Property Name	Value
Molecular Formula	C27H50O6
Molecular Weight	470.69
AlogP	7.07
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	23.0
Polar Surface Area	78.9
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C27H50O6

Molecular Weight

470.69

AlogP

7.07

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

23.0

Polar Surface Area

78.9

Heavy Atoms

33.0

Resources	Reference
ChEBI	76978
ChEMBL	CHEMBL1406148
DrugBank	DB12176
FDA SRS	6P92858988
Human Metabolome Database	HMDB0011187
SureChEMBL	SCHEMBL61958
ZINC	ZINC000008214697

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

HMDB0011187

SureChEMBL

SCHEMBL61958

ZINC

ZINC000008214697

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

TRICAPRILIN

Structure

Physicochemical Descriptors

Cross References