|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(5R,6R)-5,6-Dihydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-oic acid
|
|---|
|
Formula |
C25H36O4
|
|---|
|
Molecular Weight |
400.538 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
7 including one carboxylic acid (7 in total)
|
|---|
Number of
conjugated multiple bonds |
7 including one carboxylic acid (7 in total)
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
5.379
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
3
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
4
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.092
|
|---|
| Number of heavy atoms |
29
|
|---|
TPSA
(Topological Polar Surface Area) |
77.760 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.201: Oshima, Yoshiteru; Kawakami, Yutaka; Kiso, Yoshinobu; Hikino, Hiroshi; Yang, Ling Ling; Yen, Kun Ying, Shoyakugaku Zasshi (1984), 38(2), 198-200., "Liver protective drugs. 12. Antihepatotoxic principles of Aeginetia indica herbs".
|
|---|
|
CAS |
64803-86-7
|
|---|
|
Links to other DB |
|
|---|
|
