Astaxanthin, Antioxidant agent

关键信息

CAS 号

7542-45-2

纯度

>97%

分子量

596.8 Da

分子式

C₄₀H₅₂O₄

PubChem

5368397

属性

Synthetic

溶解度

Soluble in ethanol (with heating)

Soluble in DMSO

生化试剂名称

beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S)-

生物学描述

Potent antioxidant agent. PPARα agonist and PPARγ antagonist. Free radical scavenger. Reduces oxidative stress. Induces apoptosis. Inhibits NF-κB. Shows anti-inflammatory, antihypertensive, cardioprotective, neuroprotective and antitumor effects in vivo. Orally active.

经典 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

同分异构的 SMILES

CC1=C(C(CC(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(CC2(C)C)O)C)\C)\C)/C)/C

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+

InChiKey

MQZIGYBFDRPAKN-QISQUURKSA-N

IUPAC 名

6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(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