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9-Methoxyaristolactam I

CAT: 0804-HY-N11529-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11529-01Size:1 mg
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Description
9-Methoxyaristolactam I is a natural product that can be isolated from the roots of Asarum sieboldii Miq. var. Seoulense Nakai[1].
CAS Number
133462-30-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/9-methoxyaristolactam-i.html
Solubility
10 mM in DMSO
Smiles
O=C1NC2=C3C1=CC4=C(OCO4)C3=C5C=CC=C(OC)C5=C2OC
Molecular Formula
C18H13NO5
Molecular Weight
323.30
References & Citations
[1]Li J H, et al. Chemical constituents from the roots of Asarum sieboldii Miq. var. Seoulense Nakai. Biochemical Systematics and Ecology, 2021, 94: 104220.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9-Methoxyaristolactam I

7,8-Dimethoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one has been reported in Aristolochia kankauensis, Aristolochia mollissima, and other organisms with data available.

CAS Number133462-30-3
PubChem CID14804089
IUPAC Name12,14-dimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
Molecular FormulaC18H13NO5
Molecular Weight323.3
XLogP3.1
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity528
SMILES
COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4C(=O)N3)OCO5)OC
InChI
InChI=1S/C18H13NO5/c1-21-10-5-3-4-8-12(10)17(22-2)15-13-9(18(20)19-15)6-11-16(14(8)13)24-7-23-11/h3-6H,7H2,1-2H3,(H,19,20)
InChIKey
LGDDKZBOKLRXPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Methoxyaristolactam I
CAS: 133462-30-3
CID: 14804089
Formula: C18H13NO5
MW: 323.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass323.07937252
Monoisotopic Mass323.07937252
Topological Polar Surface Area66 Ų
Heavy Atom Count24
Formal Charge0
Complexity528
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

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