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β, β-Dimethylacrylalkannin

CAT: 0804-HY-N5112A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N5112A-01Size:5 mg
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Description
β, β-Dimethylacrylalkannin (Arnebin 1) is a napthoquinone isolated from Alkanna cappadocica , increases collagen and involucrin content in skin cells[1].
CAS Number
34539-65-6
Product Name Alternative
Arnebin 1
UNSPSC
12352005
Target
HIF/HIF Prolyl-Hydroxylase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/beta-beta-dimethylacrylalkannin.html
Concentration
10mM
Purity
99.36
Solubility
DMSO : 23.75 mg/mL (ultrasonic)
Smiles
C/C(C)=C\C(O[C@H](C(C1=O)=CC(C2=C1C(O)=CC=C2O)=O)C/C=C(C)\C)=O
Molecular Formula
C21H22O6
Molecular Weight
370.40
References & Citations
[1]Mohapatra S, et al. Anti-skin ageing activity of napthoquinones from Arnebia nobilis Reichb.f. Nat Prod Res. 2016;30 (5) :574-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Alkannin beta,beta-dimethylacrylate

Alkannin beta,beta-dimethylacrylate is a hydroxy-1,4-naphthoquinone.

CAS Number34539-65-6
PubChem CID442720
IUPAC Name[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
Molecular FormulaC21H22O6
Molecular Weight370.4
XLogP5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity706
SMILES
CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C
InChI
InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1
InChIKey
BATBOVZTQBLKIL-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Alkannin beta,beta-dimethylacrylate
CAS: 34539-65-6
CID: 442720
Formula: C21H22O6
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass370.14163842
Monoisotopic Mass370.14163842
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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