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Aristolindiquinone

CAT: 0804-HY-N2471Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N2471Size:1 Each
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Description
Aristolindiquinone can be isolated from Aristolwhia indica[1].
CAS Number
86533-36-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/aristolindiquinone.html
Solubility
10 mM in DMSO
Smiles
O=C1C(O)=C(C)C(C2=C1C(C)=CC=C2O)=O
Molecular Formula
C12H10O4
Molecular Weight
218.21
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Che CT, et al. Studies on Aristolochia III. Isolation and biological evaluation of constituents of Aristolochia indica roots for fertility-regulating activity. J Nat Prod. 1984 Mar-Apr;47 (2) :331-41.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Aristolindiquinone

Aristolindiquinone is a hydroxy-1,4-naphthoquinone.

CAS Number86533-36-0
PubChem CID442723
IUPAC Name4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP1.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity382
SMILES
CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
InChI
InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13-14H,1-2H3
InChIKey
SJBCQYINLQWMKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aristolindiquinone
CAS: 86533-36-0
CID: 442723
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5760143Aristolindiquinone

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