|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
2'-Hydroxy-1',2'-dihydrotorulene
|
|---|
|
IUPAC name |
3',4'-Didehydro-1',2'-dihydro-beta,psi-caroten-2'-ol
|
|---|
|
Formula |
C40H56O
|
|---|
|
Molecular Weight |
552.848 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
12
|
|---|
Number of
conjugated multiple bonds |
12
|
|---|
|
Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00371, CA00321, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629, CA00760
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
13.373
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
1
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.062
|
|---|
| Number of heavy atoms |
41
|
|---|
TPSA
(Topological Polar Surface Area) |
20.230 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
-
|
|---|
|
Links to other DB |
|
|---|
|
