General
Preferred name
CARENE
Synonyms
3-Carene ()
Carene, Delta-3-Carene ()
Delta-3-Carene ()
(±)-3-Carene ()
P&D ID
PD088207
CAS
74806-04-5
116783-27-8
13466-78-9
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
3
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
136.13
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
3.0
TPSA
0.0
Fraction CSP3
0.8
Chiral centers
2.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
COX
COX,phosphatase
Source data