General
Preferred name
BORNYL ACETATE
Synonyms
L-(-)-Bornyl acetate ()
Isobornyl acetate ()
Bornyl acetic ether ()
2-Camphanol acetate ()
(-)-Bornyl acetate ()
Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate ()
(±)-Bornyl Acetate ()
P&D ID
PD088268
CAS
76-49-3
5655-61-8
Tags
available
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION (-)-Bornyl acetate (L-(-)-Bornyl acetate), isolated from hyssop oil, is a less active enantiomer of (+)-Bornyl acetate. (-)-Bornyl acetate possesses antifungal activity[1].
PRICE 29
DESCRIPTION Bornyl acetate (Isobornyl acetate) has an anti-inflammatory effect. It is the volatile ingredient in some Chinese traditional herbs and numerous conifer oils.
DESCRIPTION Bornyl acetate is a potent odorant, exhibiting one of the highest flavor dilution factor (FD factor). Bornyl acetate possesses anti-cancer activity[1][2].
DESCRIPTION (-)-Bornyl acetate (L-(-)-Bornyl acetate) is a less active enantiomer of (+)-Bornyl acetate. Isolated from hyssop oil, it possesses antifungal, highly active whitening, and antioxidant properties, and it has potential applications in cosmeceutical materials. It downregulates proinflammatory cytokines in vitro and in vivo, reduces the number of total cells, neutrophils, and macrophages in BALF, attenuates histologic lung alterations, decreases the wet-to-dry weight ratio in BALF, and inhibits the activation of NF-kappa-B inhibitor alpha, extracellular regulated protein kinases, c-JunN-terminal kinase, and p38 mitogen-activated protein kinase. (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
29617
DrugBank
DB14665
MedChem Express Bioactive Compound Library
HY-N0756A
HY-N0756
Selleckchem Bioactive Compound Library
bornyl-acetate
TargetMol Bioactive Compound Library
TN1448
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
196.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
2.76
TPSA
26.3
Fraction CSP3
0.92
Chiral centers
3.0
Largest ring
5.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
Microbiology/virology
NF-κB
Immunology/Inflammation
Anti-infection
MOA
IL Receptor inhibitor
Target
IL Receptor
Apoptosis
Fungal
Immunology & Inflammation related
Antifungal
JNK
NF-¦ÊB
p38 MAPK
p38
Source data