EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00954352

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00954352


InChI Key	YCDZXIYKJHQMIG-GQFGMJRRSA-N
Smiles	O=C(OC1(C(=O)C)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC21C)C
InChI	InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3

InChI Key

YCDZXIYKJHQMIG-GQFGMJRRSA-N

Smiles

O=C(OC1(C(=O)C)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC21C)C

InChI

InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3

Property Name	Value
Molecular Formula	C24H32O4
Molecular Weight	384.23
AlogP	4.58
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	60.44
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H32O4

Molecular Weight

384.23

AlogP

4.58

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

60.44

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	32634-95-0
NORMAN SUSDAT
PubChem	94436

Resources

Reference

CAS NUMBER

32634-95-0

NORMAN SUSDAT

PubChem

94436

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-HYDROXY-6-METHYLENEPREGN-4-ENE-3,20-DIONE 17-ACETATE

Structure

Physicochemical Descriptors

Cross References