EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WVJ22FFN83
EPA CompTox	DTXSID80949362

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WVJ22FFN83

EPA CompTox

DTXSID80949362


InChI Key	OXXNTXVXBWLYQE-PVHICTMWSA-N
Smiles	O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCCC
InChI	InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3

InChI Key

OXXNTXVXBWLYQE-PVHICTMWSA-N

Smiles

O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCCC

InChI

InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3

Property Name	Value
Molecular Formula	C30H48O3
Molecular Weight	456.36
AlogP	7.96
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	43.37
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C30H48O3

Molecular Weight

456.36

AlogP

7.96

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

43.37

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	26490-31-3
NORMAN SUSDAT
FDA SRS	WVJ22FFN83
PubChem	94371

Resources

Reference

CAS NUMBER

26490-31-3

NORMAN SUSDAT

FDA SRS

WVJ22FFN83

PubChem

94371

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

NANDROLONE LAURATE

Structure

Physicochemical Descriptors

Cross References