EcoDrugPlus


Synonyms	4-cholest-en-3-one, oxime Cholest-4-en-3-one, oxime NSC-21311 Olesoxime TRO-19622 TRO19622
Status
Molecule Category	Free-form
UNII	A6778U5IFY

Synonyms

4-cholest-en-3-one, oxime

Cholest-4-en-3-one, oxime

NSC-21311

Olesoxime

TRO-19622

TRO19622

Status

Molecule Category

Free-form

UNII

A6778U5IFY


InChI Key	QNTASHOAVRSLMD-GYKMGIIDSA-N
Smiles	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key

QNTASHOAVRSLMD-GYKMGIIDSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

Property Name	Value
Molecular Formula	C27H45NO
Molecular Weight	399.66
AlogP	7.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	32.59
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C27H45NO

Molecular Weight

399.66

AlogP

7.86

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

32.59

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL3545254
FDA SRS	A6778U5IFY
Guide to Pharmacology	8542
ZINC	ZINC000252672791

Resources

Reference

ChEMBL

CHEMBL3545254

FDA SRS

A6778U5IFY

Guide to Pharmacology

8542

ZINC

ZINC000252672791

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...

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Last update: Monday, 3 November 2025

OLESOXIME

Structure

Physicochemical Descriptors

Cross References