EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	48K9VAM062
EPA CompTox	DTXSID2075394

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

48K9VAM062

EPA CompTox

DTXSID2075394


InChI Key	WNWFENBGTAICPU-HQEMIIEJSA-N
Smiles	OC1=CCCC2CCC3C4CCCC4(C)CCC3C12C
InChI	InChI=1/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h7,13-16,20H,3-6,8-12H2,1-2H3

InChI Key

WNWFENBGTAICPU-HQEMIIEJSA-N

Smiles

OC1=CCCC2CCC3C4CCCC4(C)CCC3C12C

InChI

InChI=1/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h7,13-16,20H,3-6,8-12H2,1-2H3

Property Name	Value
Molecular Formula	C19H30O
Molecular Weight	274.23
AlogP	5.47
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C19H30O

Molecular Weight

274.23

AlogP

5.47

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	1153-51-1
NORMAN SUSDAT
FDA SRS	48K9VAM062
PubChem	21124472

Resources

Reference

CAS NUMBER

1153-51-1

NORMAN SUSDAT

FDA SRS

48K9VAM062

PubChem

21124472

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

ANDROSTENOL

Structure

Physicochemical Descriptors

Cross References