EcoDrugPlus


Synonyms	NSC-760433 Octocrilene Octocrylene
Status
Molecule Category	Free-form
UNII	5A68WGF6WM
EPA CompTox	DTXSID9025299

Synonyms

NSC-760433

Octocrilene

Octocrylene

Status

Molecule Category

Free-form

UNII

5A68WGF6WM

EPA CompTox

DTXSID9025299


InChI Key	FMJSMJQBSVNSBF-UHFFFAOYSA-N
Smiles	CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3

InChI Key

FMJSMJQBSVNSBF-UHFFFAOYSA-N

Smiles

CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3

Property Name	Value
Molecular Formula	C24H27NO2
Molecular Weight	361.49
AlogP	5.77
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	50.09
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H27NO2

Molecular Weight

361.49

AlogP

5.77

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

50.09

Heavy Atoms

27.0

Mechanism of Action	Action	Reference
Sunscreen	None	DailyMed

Mechanism of Action

Action

Reference

Sunscreen

None

DailyMed

Resources	Reference
ChEBI	135526
ChEMBL	CHEMBL1201147
DrugCentral	3395
FDA SRS	5A68WGF6WM
PubChem	22571
SureChEMBL	SCHEMBL16483

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

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

OCTOCRYLENE

Structure

Physicochemical Descriptors

Pharmacology

Cross References