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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12O2
Molecular Weight 200.2332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6-TRIMETHYL-1,4-NAPHTHALENEDIONE

SMILES

CC1=CC=C2C(=O)C(C)=C(C)C(=O)C2=C1

InChI

InChIKey=LWWOWQZGAGVVEU-UHFFFAOYSA-N
InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H12O2
Molecular Weight 200.2332
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Naphthoquinones and bioactive compounds from tobacco as modulators of neuronal nitric oxide synthase activity.
2009-12
Isolation and characterization of a monoamine oxidase B selective inhibitor from tobacco smoke.
2006-05-15
Inhibition of human MAO-A and MAO-B by a compound isolated from flue-cured tobacco leaves and its neuroprotective properties in the MPTP mouse model of neurodegeneration.
2003
Neuroprotection in the MPTP Parkinsonian C57BL/6 mouse model by a compound isolated from tobacco.
2001-05
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:13:49 GMT 2025
Edited
by admin
on Mon Mar 31 19:13:49 GMT 2025
Record UNII
3F9265K5XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6-TRIMETHYL-1,4-NAPHTHALENEDIONE
Common Name English
1,4-NAPHTHALENEDIONE, 2,3,6-TRIMETHYL-
Preferred Name English
2,3,6-TRIMETHYL-1,4-NAPHTHOQUINONE
Systematic Name English
Code System Code Type Description
CAS
20490-42-0
Created by admin on Mon Mar 31 19:13:49 GMT 2025 , Edited by admin on Mon Mar 31 19:13:49 GMT 2025
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FDA UNII
3F9265K5XQ
Created by admin on Mon Mar 31 19:13:49 GMT 2025 , Edited by admin on Mon Mar 31 19:13:49 GMT 2025
PRIMARY
PUBCHEM
88562
Created by admin on Mon Mar 31 19:13:49 GMT 2025 , Edited by admin on Mon Mar 31 19:13:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID90174466
Created by admin on Mon Mar 31 19:13:49 GMT 2025 , Edited by admin on Mon Mar 31 19:13:49 GMT 2025
PRIMARY