General
Preferred name
OCIMENE
Synonyms
?-Ocimene ()
trans-?-Ocimene ()
P&D ID
PD085431
CAS
13877-91-3
27400-72-2
11009-78-2
3338-55-4
3779-61-1
Tags
natural product
available
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
136.13
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
3.48
TPSA
0.0
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
0.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
