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Adonixanthin

CAT: 0013-GTR19266394-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266394-01Size:50 mg
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Description
Adonixanthin ((3S,3'R) -Adonixanthin) is a carotenoid that acts as an orally active antioxidant and anticancer agent. It demonstrates the ability to inhibit the proliferation and migration of glioblastoma cells and provides cellular protection against various injuries, suppressing increased reactive oxygen species (ROS) production. Adonixanthin safeguards cells from photo-induced damage through antioxidative responses and Nrf2 activation. It can halt glioblastoma progression and improve blood-brain barrier permeability in autologous intracerebral hemorrhage (ICH) models. This compound is applicable in research related to glioblastoma (GBM) and intracerebral hemorrhage (ICH) .
CAS Number
4418-73-9
Field of Research
Immunology & Inflammation, Metabolism Research, Protein Biochemistry, Signal Transduction
Smiles
C (=C/C (=C/C=C/C (=C/C=C/C=C (/C=C/C=C (/C=C/C=1C (C) (C) C[C@H] (O) CC1C) \C) \C) /C) /C) \C=2C (C) (C) C[C@H] (O) C (=O) C2C
Molecular Formula
C40H54O3
Molecular Weight
582.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adonixanthin

Adonixanthin is a carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). It has a role as an antineoplastic agent, an animal metabolite, a marine metabolite, a plant metabolite, a bacterial metabolite and an algal metabolite. It is a carotenone, a secondary alcohol and a cyclic ketone.

CAS Number4418-73-9
PubChem CID16061189
IUPAC Name(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-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
Molecular FormulaC40H54O3
Molecular Weight582.9
XLogP10.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1370
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/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
InChI
InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
InChIKey
YECXHLPYMXGEBI-ZNQVSPAOSA-N
Chemical Structure
2D Structure
2D structure of Adonixanthin
CAS: 4418-73-9
CID: 16061189
Formula: C40H54O3
MW: 582.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.9
XLogP310.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass582.40729558
Monoisotopic Mass582.40729558
Topological Polar Surface Area57.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity1370
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-O-13559Adonixanthin
261404-01Adonixanthin discontinued

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