EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6Z5B6HVF6O
EPA CompTox	DTXSID1041057

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6Z5B6HVF6O

EPA CompTox

DTXSID1041057


InChI Key	GGXICVAJURFBLW-RDSJPUOVSA-N
Smiles	CC(C)OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
InChI	InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1

InChI Key

GGXICVAJURFBLW-RDSJPUOVSA-N

Smiles

CC(C)OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1

InChI

InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1

Property Name	Value
Molecular Formula	C26H40O5
Molecular Weight	432.29
AlogP	4.19
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	13.0
Polar Surface Area	86.99
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C26H40O5

Molecular Weight

432.29

AlogP

4.19

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

13.0

Polar Surface Area

86.99

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	130209-82-4
NORMAN SUSDAT
FDA SRS	6Z5B6HVF6O
PubChem	5282380
ChemSpider	4445540.0

Resources

Reference

CAS NUMBER

130209-82-4

NORMAN SUSDAT

FDA SRS

6Z5B6HVF6O

PubChem

5282380

ChemSpider

4445540.0

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

LATANOPROST

Structure

Physicochemical Descriptors

Cross References