Compound Summary
Astaxanthin
Compound Information
Astaxanthin
Compound Name: | Astaxanthin |
Compound CID: | 5281224 |
Synonyms: | Astaxanthin 472-61-7 Ovoester 3,3-Dihydroxy-beta,beta-carotene-4,4-dione Astaxanthine More... |
Iupac Name: | (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one |
InChI: | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 |
InChIKey: | MQZIGYBFDRPAKN-UWFIBFSHSA-N |
Canonical Smiles: | CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C |
Isomeric Smiles: | CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C |
Molecular Weight: | 596.8 |
Molecular Formula: | C40H52O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Astaxanthin
Molecular Weight: | 596.8 |
Molecular Formula: | C40H52O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 44 |
Complexity: | 1340 |
Synonyms
Astaxanthin
| Astaxanthin | Astaxanthin |
|---|---|
Astaxanthin |
472-61-7 |
Ovoester |
3,3-Dihydroxy-beta,beta-carotene-4,4-dione |
Astaxanthine |
(3S,3S)-Astaxanthin |
all-trans-Astaxanthin |
trans-Astaxanthin |
AstaREAL |
UNII-8XPW32PR7I |
Astaxanthin, (3S,3S)-" |
3,3-Dihydroxy-beta-carotene-4,4-dione" |
(3S,3S)-all-trans-Astaxanthin |
8XPW32PR7I |
(3S,3S)-3,3-Dihydroxy-beta,beta-carotene-4,4-dione |
CHEBI:40968 |
Algae Haematococcus pluvialis |
(6S,6S)-3,3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-enone) |
Natupink |
AstaXin |
BioAstin |
Carophyll Pink |
Lucantin Pink |
BioAstin oleoresin |
(6S)-6-Hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethyl-1-cyclohex-2-enone |
Astaxanthin (6CI) |
Astaxanthin, all-trans- |
astaxantin |
CCRIS 7118 |
HSDB 7468 |
NSC-635689 |
(6S)-6-hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethylcyclohex-2-en-1 |
EINECS 207-451-4 |
NSC 635689 |
3S,3S-Astaxanthin" |
Astaxanthin, all-trans-, (3S,3S)- |
Astaxanthin, 5% active |
b-Carotene-4,4-dione |
Coriolus Versicolor Extract |
SCHEMBL20047 |
E161j |
CHEMBL1255871 |
Astaxanthin, >=98% (HPLC) |
E 161j |
DTXSID00893777 |
all-trans-(3S,3S)-astaxanthin" |
3,3-Dihydroxy-beta,beta-carotene-4,4-dione, (3S,3S)- |
HMS3885C08 |
BCP05821 |
HY-B2163 |
.beta.,.beta.-Carotene-4,4-dione, 3,3-dihydroxy-, (3S,3S)- |
CA0143 |
LMPR01070263 |
MFCD00672621 |
s3834 |
AKOS015841055 |
AKOS015895756 |
ZINC100042059 |
AC-8760 |
BCP9000329 |
CCG-270185 |
DB06543 |
3,3-dihydroxy-ss-carotene-4,4-dione |
all-trans-Astaxanthin, analytical standard |
AS-14095 |
Astaxanthin 10 microg/mL in Acetonitrile |
CS-0020413 |
C08580 |
M01303 |
3,3-dihydroxy-4,4-diketo-beta,beta-carotene |
472A617 |
A827177 |
Q413740 |
Q-200655 |
all-trans-3,3-dihydroxy-b-Carotene-4,4-dione (8CI)" |
.beta.-Carotene-4,4-dione, 3,3-dihydroxy-, all-trans- |
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionicacid |
all-trans-3,3-dihydroxy-beta-Carotene-4,4-dione (8CI) |
UNII-E9AI950EAH component MQZIGYBFDRPAKN-UWFIBFSHSA-N |
3,3-Dihydroxy-.beta.,.beta.-carotene-4,4-dione, (3S,3S)- |
Astaxanthin. Short expiry date due to chemical nature of component(s) |
3,3-Dihydroxy-beta,beta-carotene-4,4-dione;(S)-6-hydroxy-3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-2,4,4-trimethylcyclohex-2-enone;" |
Experimental Data
Astaxanthin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | 30.000000000000000 | umol/L | S | 30312390 | |||||||||
| Caenorhabditis elegans | 6.000000000000000 | ug | 17.300000000000000 | 20.900000000000000 | 20.800000000000000 | 22.600000000000000 | 25.900000000000000 | 14.600000000000000 | S | N2 | 22484623 | Active | |
| Caenorhabditis elegans | 1.000000000000000 | mM | 25.500000000000000 | 32.800000000000000 | 0.290000000000000 | 43.800000000000000 | 53.300000000000000 | 0.220000000000000 | S | N2 | 22013497 | Active | |
| Caenorhabditis elegans | 0.100000000000000 | mM | 25.500000000000000 | 32.200000000000000 | 0.260000000000000 | 43.800000000000000 | 54.600000000000000 | 0.250000000000000 | S | N2 | 22013497 | Active | |
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 17.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Astaxanthin
Statistics Data
Astaxanthin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 20.800000000000000 | 14.600000000000000 | 3 | 4 |
| Saccharomyces cerevisiae | 1 | 1 |
Statistics Data Visualization
Astaxanthin
