EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7P2O6MFN8O
EPA CompTox	DTXSID601018917

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7P2O6MFN8O

EPA CompTox

DTXSID601018917


InChI Key	AODPIQQILQLWGS-GXBDJPPSSA-N
Smiles	C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23
InChI	InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3

InChI Key

AODPIQQILQLWGS-GXBDJPPSSA-N

Smiles

C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23

InChI

InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3

Property Name	Value
Molecular Formula	C21H34O5
Molecular Weight	366.24
AlogP	1.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	97.99
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C21H34O5

Molecular Weight

366.24

AlogP

1.65

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

97.99

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	53-02-1
NORMAN SUSDAT
FDA SRS	7P2O6MFN8O

Resources

Reference

CAS NUMBER

53-02-1

NORMAN SUSDAT

FDA SRS

7P2O6MFN8O

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

TETRAHYDROCORTISOL

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