EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZX4VV1AKUF
EPA CompTox	DTXSID80471835

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZX4VV1AKUF

EPA CompTox

DTXSID80471835


InChI Key	PUQSDJZESAQGQS-UHFFFAOYSA-N
Smiles	CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
InChI	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3

InChI Key

PUQSDJZESAQGQS-UHFFFAOYSA-N

Smiles

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3

Property Name	Value
Molecular Formula	C18H24O2
Molecular Weight	272.18
AlogP	3.55
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	37.3
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H24O2

Molecular Weight

272.18

AlogP

3.55

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

37.3

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	6218-29-7
NORMAN SUSDAT
FDA SRS	ZX4VV1AKUF
PubChem	623328
ChemSpider	541567.0

Resources

Reference

CAS NUMBER

6218-29-7

NORMAN SUSDAT

FDA SRS

ZX4VV1AKUF

PubChem

623328

ChemSpider

541567.0

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

9,10-DEHYDRO-19-NORTESTOSTERONE

Structure

Physicochemical Descriptors

Cross References