|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
Dihydrophaseic acid;
Dihydroxy-phaseic acid
|
|---|
|
IUPAC name |
(3R,6S,9Z)-3,6-dihydroxy-16,5-epoxy-11-apo-epsilon-caroten-11-oic acid
|
|---|
|
Formula |
C15H22O5
|
|---|
|
Molecular Weight |
282.326 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3R,6S), 9Z, 5,6+H, 16,5-Epoxy, 9Z, 6-OH, 3-OH, 11-COOH, 11-apo, epsilon
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
3 including one carboxylic acid (3 in total)
|
|---|
Number of
conjugated multiple bonds |
3 including one carboxylic acid (3 in total)
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
0.457
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
3
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
5
|
|---|
| LipinskiFailures |
0
|
|---|
| Complexity of molecule |
0.190
|
|---|
| Number of heavy atoms |
20
|
|---|
TPSA
(Topological Polar Surface Area) |
86.990 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
|
|---|
|
Links to other DB |
|
|---|
|
