General
Preferred name
OCTINOXATE
Synonyms
Octyl Methoxycinnamate ()
Parsol ()
2-Ethylhexyl 4-methoxycinnamate ()
Bergasol ()
Octyl methoxycinnamate ()
2-Ethylhexyl trans-4-methoxycinnamate ()
P&D ID
PD012015
CAS
83834-59-7
155867-04-2
5466-77-3
Tags
available
drug
Drug Status
approved
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY
Slightly hazardous in case of skin contact, eye contact, ingestion and inhalation. Octinoxate may form reactive singlet oxygen species and induce anti-estrogenic effects [A19214]. UV-induced molecular breakdown of octinoxate may interfere with cellular processes or induce oxidative damage in human skin [A19212]. ; The NOAEL (no observed adverse effect level) is 450 mg/kg bw/day for fertility and reproductive performance, for systemic parental and developmental toxicity in Wistar rats [A19209].
PRICE
29
DESCRIPTION
Octinoxate (Octyl 4-methoxycinnamate) is used is in sunscreens and other cosmetics to absorb UV-B rays from the sun, protecting the skin from damage,primarily as an ingredient in some sunscreens and lip balms. It is also used to reduce the appearance of scars.
DESCRIPTION
2-Ethylhexyl trans-4-methoxycinnamate is a sunscreen agent.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
290.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
1
cLogP
4.47
TPSA
35.53
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Androgen Receptor
Cytochrome P450
Estrogen Receptor/ERR
Thyroid hormone receptor
Pathway
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Source data
