EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4G7IHY560Z
EPA CompTox	DTXSID00858947

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4G7IHY560Z

EPA CompTox

DTXSID00858947


InChI Key	PROQIPRRNZUXQM-PNVOZDDCSA-N
Smiles	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O
InChI	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1

InChI Key

PROQIPRRNZUXQM-PNVOZDDCSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O

InChI

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1

Property Name	Value
Molecular Formula	C18H24O3
Molecular Weight	288.17
AlogP	2.58
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Polar Surface Area	60.69
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H24O3

Molecular Weight

288.17

AlogP

2.58

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Polar Surface Area

60.69

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	1228-72-4
NORMAN SUSDAT
FDA SRS	4G7IHY560Z
PubChem	256737

Resources

Reference

CAS NUMBER

1228-72-4

NORMAN SUSDAT

FDA SRS

4G7IHY560Z

PubChem

256737

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

17-EPIESTRIOL

Structure

Physicochemical Descriptors

Cross References