EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MWO4TCJ1SR
EPA CompTox	DTXSID0025525

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MWO4TCJ1SR

EPA CompTox

DTXSID0025525


InChI Key	LUXUAZKGQZPOBZ-DJWGODSSSA-N
Smiles	CCCCCCCC/C=CCCCCCCCC(=O)OC1COC2C(O)COC12
InChI	InChI=1S/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h9-10,20-21,23-25H,2-8,11-19H2,1H3/b10-9-/t20-,21-,23+,24-/m0/s1

InChI Key

LUXUAZKGQZPOBZ-DJWGODSSSA-N

Smiles

CCCCCCCC/C=CCCCCCCCC(=O)OC1COC2C(O)COC12

InChI

InChI=1S/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h9-10,20-21,23-25H,2-8,11-19H2,1H3/b10-9-/t20-,21-,23+,24-/m0/s1

Property Name	Value
Molecular Formula	C24H42O5
Molecular Weight	410.3
AlogP	5.09
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	64.99
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H42O5

Molecular Weight

410.3

AlogP

5.09

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

64.99

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	1341-72-6
NORMAN SUSDAT
FDA SRS	MWO4TCJ1SR
PubChem	22833495
ChemSpider	17215819.0

Resources

Reference

CAS NUMBER

1341-72-6

NORMAN SUSDAT

FDA SRS

MWO4TCJ1SR

PubChem

22833495

ChemSpider

17215819.0

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

MANNIDE MONOOLEATE

Structure

Physicochemical Descriptors

Cross References