|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
12-Apo-17,5-epoxy-2,9-dihydroxy- 5,6,9,10,11,12-hexahydro-beta-caroten-3-one
|
|---|
|
Formula |
C16H26O4
|
|---|
|
Molecular Weight |
282.368 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
12-apo, 17,5-Epoxy, 2-OH, 9-OH, 5,6+H, 9,10+H, 11,12+H, 3=O, beta
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
0
|
|---|
Number of
conjugated multiple bonds |
0
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
1.650
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
2
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
4
|
|---|
| LipinskiFailures |
0
|
|---|
| Complexity of molecule |
0.174
|
|---|
| Number of heavy atoms |
20
|
|---|
TPSA
(Topological Polar Surface Area) |
66.760 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.402: Anjum, Tehmina; Bajwa, Rukhsana, Phytochemistry (Elsevier) (2005), 66(16), 1919-1921., "A bioactive annuionone from sunflower leaves".
|
|---|
|
CAS |
866925-33-9
|
|---|
|
Links to other DB |
|
|---|
|
