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20490-42-0 | 1,4-Naphthalenedione, 2,3,6-trimethyl-
CAS No: 20490-42-0 Catalog No: AG0029QL MDL No:MFCD18448799
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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