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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
Neuroprotection in the MPTP Parkinsonian C57BL/6 mouse model by a compound isolated from tobacco.
2001 May
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
Isolation and characterization of a monoamine oxidase B selective inhibitor from tobacco smoke.
2006 May 15
Naphthoquinones and bioactive compounds from tobacco as modulators of neuronal nitric oxide synthase activity.
2009 Dec
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:44 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:44 GMT 2023
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-
Systematic 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 Fri Dec 15 18:29:44 GMT 2023 , Edited by admin on Fri Dec 15 18:29:44 GMT 2023
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FDA UNII
3F9265K5XQ
Created by admin on Fri Dec 15 18:29:44 GMT 2023 , Edited by admin on Fri Dec 15 18:29:44 GMT 2023
PRIMARY
PUBCHEM
88562
Created by admin on Fri Dec 15 18:29:44 GMT 2023 , Edited by admin on Fri Dec 15 18:29:44 GMT 2023
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EPA CompTox
DTXSID90174466
Created by admin on Fri Dec 15 18:29:44 GMT 2023 , Edited by admin on Fri Dec 15 18:29:44 GMT 2023
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