General
Preferred name
alpha-Carotene
Synonyms
?-Carotene ()
P&D ID
PD080434
CAS
7488-99-5
Tags
drug candidate
natural product
available
Drug Status
experimental
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
24
Properties
(calculated by RDKit )
Molecular Weight
536.44
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
0
cLogP
12.46
TPSA
0.0
Fraction CSP3
0.45
Chiral centers
1.0
Largest ring
6.0
QED
0.19
Structural alerts
1
Singlet oxygen quenching
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
