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Aristolochic acid C

CAT: 0804-HY-N1450-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1450-01Size:1 mg
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Description
Aristolochic acid C is a derivative of Aristolochic acid. Aristolochic acid is a phospholipase A2 (PLA2) inhibitor, which disrupts cortical microtubule arrays and root growth in Arabidopsis[1].
CAS Number
4849-90-5
UNSPSC
12352005
Hazard Statement
H301+H311+H331, H341, H351
Target
Phospholipase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aristolochic-acid-c.html
Purity
99.77
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(C1=C2C([N+]([O-])=O)=CC3=CC=C(O)C=C3C2=C(OCO4)C4=C1)O
Molecular Formula
C16H9NO7
Molecular Weight
327.25
Precautions
H301+H311+H331, H341, H351
References & Citations
2Arabidopsis
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Aristolochic Acid C

Aristolochic acid C is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. It has a role as a metabolite, a mutagen, a carcinogenic agent and a nephrotoxin. It is a member of aristolochic acids, a monocarboxylic acid, an aromatic ether, a C-nitro compound, an organic heterotetracyclic compound and a cyclic acetal.

CAS Number4849-90-5
PubChem CID165274
IUPAC Name10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular FormulaC16H9NO7
Molecular Weight327.24
XLogP3.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity535
SMILES
C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
InChIKey
NBFGYDJKTHENDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aristolochic Acid C
CAS: 4849-90-5
CID: 165274
Formula: C16H9NO7
MW: 327.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.24
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass327.03790163
Monoisotopic Mass327.03790163
Topological Polar Surface Area122 Ų
Heavy Atom Count24
Formal Charge0
Complexity535
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

Related Products

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HY-N0510-01Aristolochic acid A
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HY-N0511RAristolochic acid B (Standard)

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