ARISTOLOLACTUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H11NO4
Molecular Weight	293.2735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ARISTOLOLACTUM

Structure Search

SMILES

COC1=C2C=C3NC(=O)C4=CC5=C(OCO5)C(=C34)C2=CC=C1

InChI

InChIKey=MXOKGWUJNGEKBH-UHFFFAOYSA-N

InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclin-dependent kinase 2 23 Target ID: CHEMBL301 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20097066	Inhibitor 8504		1.2 µM [IC50]

PubMed

PubMed

Title	Date	PubMed
Semi-synthetic aristolactams--inhibitors of CDK2 enzyme.	2010-02-15	20097066

Name

Type

Language

NSC-87406

Preferred Name

English

ARISTOLOLACTUM

Common Name

English

8-Methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one

Systematic Name

English

ARISTOLACTAM I

Common Name

English

Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-

Systematic Name

English

Code System Code Type Description

CAS

13395-02-3

Created by admin on Mon Mar 31 23:01:39 GMT 2025 , Edited by admin on Mon Mar 31 23:01:39 GMT 2025

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PUBCHEM

96710

Created by admin on Mon Mar 31 23:01:39 GMT 2025 , Edited by admin on Mon Mar 31 23:01:39 GMT 2025

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EPA CompTox

DTXSID60158430

Created by admin on Mon Mar 31 23:01:39 GMT 2025 , Edited by admin on Mon Mar 31 23:01:39 GMT 2025

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NSC

87406

Created by admin on Mon Mar 31 23:01:39 GMT 2025 , Edited by admin on Mon Mar 31 23:01:39 GMT 2025

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FDA UNII

3G8CFM4T9A

Created by admin on Mon Mar 31 23:01:39 GMT 2025 , Edited by admin on Mon Mar 31 23:01:39 GMT 2025

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SUBSTANCE RECORD


					3G8CFM4T9A