OCTOCRYLENE

Search structure
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5A68WGF6WM

Structure
InChI Key FMJSMJQBSVNSBF-UHFFFAOYSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27NO2
Molecular Weight 361.49
AlogP 5.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 50.09
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
None Sunscreen DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanosis 4 D008548 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135526
ChEMBL CHEMBL1201147
DrugCentral 3395
EPA CompTox DTXSID9025299
FDA SRS 5A68WGF6WM
PubChem 22571
SureChEMBL SCHEMBL16483
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