EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NZ1ZPC4WSF
EPA CompTox	DTXSID00866582

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NZ1ZPC4WSF

EPA CompTox

DTXSID00866582


InChI Key	UEKGZFCGRQYMRM-UHFFFAOYSA-N
Smiles	CCCCCCC(C)(C)c1cc(O)c2C3CC(O)CCC3C(C)(C)Oc2c1
InChI	InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3

InChI Key

UEKGZFCGRQYMRM-UHFFFAOYSA-N

Smiles

CCCCCCC(C)(C)c1cc(O)c2C3CC(O)CCC3C(C)(C)Oc2c1

InChI

InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3

Property Name	Value
Molecular Formula	C24H38O3
Molecular Weight	374.28
AlogP	6.06
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	49.69
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H38O3

Molecular Weight

374.28

AlogP

6.06

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

49.69

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	56689-43-1
NORMAN SUSDAT
FDA SRS	NZ1ZPC4WSF

Resources

Reference

CAS NUMBER

56689-43-1

NORMAN SUSDAT

FDA SRS

NZ1ZPC4WSF

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

CANBISOL

Structure

Physicochemical Descriptors

Cross References