EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZUZ4FHD36E
EPA CompTox	DTXSID00863314

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZUZ4FHD36E

EPA CompTox

DTXSID00863314


InChI Key	HNDHDMOSWUAEAW-UHFFFAOYSA-N
Smiles	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC=C2
InChI	InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3

InChI Key

HNDHDMOSWUAEAW-UHFFFAOYSA-N

Smiles

CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC=C2

InChI

InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3

Property Name	Value
Molecular Formula	C19H26O1
Molecular Weight	270.2
AlogP	4.68
Hydrogen Bond Acceptor	1.0
Polar Surface Area	17.07
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H26O1

Molecular Weight

270.2

AlogP

4.68

Hydrogen Bond Acceptor

1.0

Polar Surface Area

17.07

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	4075-07-4
NORMAN SUSDAT
FDA SRS	ZUZ4FHD36E

Resources

Reference

CAS NUMBER

4075-07-4

NORMAN SUSDAT

FDA SRS

ZUZ4FHD36E

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

4,16-ANDROSTADIEN-3-ONE

Structure

Physicochemical Descriptors

Cross References