Aristolactam A III

CAT: 0804-HY-N11561-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N11561-01Size:1 mg

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Description

Aristolactam A III (Aristololactam A III) is an alkaloid, with potantial cytotoxicity. Aristolactam A III can be isolated from Houttuyniae herba[1].

CAS Number

53948-08-6

Product Name Alternative

Aristololactam A III

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/aristolactam-a-iii.html

Solubility

10 mM in DMSO

Smiles

O=C1NC2=CC3=CC=C(C=C3C4=C2C1=CC(O)=C4OC)OC

Molecular Formula

C17H13NO4

Molecular Weight

295.29

References & Citations

[1]Wu Y, et al. Rapid Analysis of Aristolochic Acids and Aristolactams in Houttuyniae Herba by LC-MS/MS. Molecules. 2022 Dec 16;27 (24) :8969.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Aristolactam A III

Aristololactam A-III has been reported in Aristolochia kaempferi and Aristolochia liukiuensis with data available.

CAS Number	53948-08-6
PubChem CID	10017381
IUPAC Name	14-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Molecular Formula	C17H13NO4
Molecular Weight	295.29
XLogP	2.9
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	456

SMILES

COC1=CC2=C3C4=C(C=C2C=C1)NC(=O)C4=CC(=C3OC)O

InChI

InChI=1S/C17H13NO4/c1-21-9-4-3-8-5-12-14-11(17(20)18-12)7-13(19)16(22-2)15(14)10(8)6-9/h3-7,19H,1-2H3,(H,18,20)

InChIKey

XQTQPBAROQYWHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53948-08-6

CID: 10017381

Formula: C17H13NO4

MW: 295.29

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	295.29
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	295.08445790
Monoisotopic Mass	295.08445790
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FA74143-01	Aristolactam
TN3445	Aristolactam BIII
TN3446	Aristolactam FI
TN3444	Aristolactam BII
379615	Aristolactam AII
441773-01	Aristolactam I
TL0017	Aristolactam AIIIa
TBZ2497	Aristolactam AIa
T82970-01	Aristolactam A III

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