Name: Name:1,4-Naphthalenedione, 2,3,6-trimethyl-
Brand: Angene
SKU: AG0029QL
Rating: 90 (10 reviews)

1,4-Naphthalenedione, 2,3,6-trimethyl-

CAS No.:

20490-42-0

Catalog Number:

AG0029QL

Molecular Formula:

C13H12O2

Molecular Weight:

200.2332

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Purity

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Product Description

Catalog Number:

AG0029QL

Chemical Name:

1,4-Naphthalenedione, 2,3,6-trimethyl-

CAS Number:

20490-42-0

Molecular Formula:

C13H12O2

Molecular Weight:

200.2332

MDL Number:

MFCD18448799

IUPAC Name:

2,3,6-trimethylnaphthalene-1,4-dione

InChI:

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

InChI Key:

LWWOWQZGAGVVEU-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)C(=O)C(=C(C2=O)C)C

UNII:

3F9265K5XQ

Properties

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.237g/mol

Monoisotopic Mass:

200.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Molecular insights into human monoamine oxidase (MAO) inhibition by 1,4-naphthoquinone: evidences for menadione (vitamin K3) acting as a competitive and reversible inhibitor of MAO.	Bioorganic & medicinal chemistry 20111215
Naphthoquinones and bioactive compounds from tobacco as modulators of neuronal nitric oxide synthase activity.	Phytotherapy research : PTR 20091201
Isolation and characterization of a monoamine oxidase B selective inhibitor from tobacco smoke.	Bioorganic & medicinal chemistry 20060515
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.	Inflammopharmacology 20030101
Neuroprotection in the MPTP Parkinsonian C57BL/6 mouse model by a compound isolated from tobacco.	Chemical research in toxicology 20010501