Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01322"
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"
9000-38-8
nutraceutical
# Uebelhack R, Franke L, Schewe HJ: Inhibition of platelet MAO-B by kava pyrone-enriched extract from Piper methysticum Forster (kava-kava). Pharmacopsychiatry. 1998 Sep;31(5):187-92. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/9832350
# Baum SS, Hill R, Rommelspacher H: Effect of kava extract and individual kavapyrones on neurotransmitter levels in the nucleus accumbens of rats. Prog Neuropsychopharmacol Biol Psychiatry. 1998 Oct;22(7):1105-20. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/9829291
# Seitz U, Schule A, Gleitz J: [3H]-monoamine uptake inhibition properties of kava pyrones. Planta Med. 1997 Dec;63(6):548-9. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/9434608
# Lim ST, Dragull K, Tang CS, Bittenbender HC, Efird JT, Nerurkar PV: Effects of kava alkaloid, pipermethystine, and kavalactones on oxidative stress and cytochrome P450 in F-344 rats. Toxicol Sci. 2007 May;97(1):214-21. Epub 2007 Feb 27. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17329236
# Sorrentino L, Capasso A, Schmidt M: Safety of ethanolic kava extract: Results of a study of chronic toxicity in rats. Phytomedicine. 2006 Sep;13(8):542-9. Epub 2006 Aug 14. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/16904878
Klaus-Peter Schwabe, "Kava-kava extract, process for the production thereof and use thereof." U.S. Patent US5296224, issued November, 1963.
This compound belongs to the dihydropyranones. These are compounds containing an hydrogenated pyran ring which bears a ketone, and contains one double bond.
Dihydropyranones
Organic Compounds
Heterocyclic Compounds
Pyrans
Pyranones and Derivatives
Carboxylic Acid Esters
Ethers
Polyamines
carboxylic acid ester
ether
polyamine
carboxylic acid derivative
DB00404
Alprazolam
Kava may increase the effect of the benzodiazepine, alprazolam.
DB00475
Chlordiazepoxide
Kava may increase the effect of the benzodiazepine, chlordiazepoxide.
DB00349
Clobazam
Kava may increase the effect of the benzodiazepine, clobazam.
DB01068
Clonazepam
Kava may increase the effect of the benzodiazepine, clonazepam.
DB00628
Clorazepate
Kava may increase the effect of the benzodiazepine, clorazepate.
DB00829
Diazepam
Kava may increase the effect of the benzodiazepine, diazepam.
DB01215
Estazolam
Kava may increase the effect of the benzodiazepine, estazolam.
DB00690
Flurazepam
Kava may increase the effect of the benzodiazepine, flurazepam.
DB00186
Lorazepam
Kava may increase the effect of the benzodiazepine, lorazepam.
DB00683
Midazolam
Kava may increase the effect of the benzodiazepine, midazolam.
DB00842
Oxazepam
Kava may increase the effect of the benzodiazepine, oxazepam.
DB00231
Temazepam
Kava may increase the effect of the benzodiazepine, temazepam.
DB00897
Triazolam
Kava may increase the effect of the benzodiazepine, triazolam.
logP
2.74
ALOGPS
logS
-3.6
ALOGPS
Water Solubility
6.32e-02 g/l
ALOGPS
logP
2.05
ChemAxon
IUPAC Name
6-[(E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
ChemAxon
Traditional IUPAC Name
6-[(E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl]-4-methoxy-5,6-dihydropyran-2-one
ChemAxon
Molecular Weight
232.275
ChemAxon
Monoisotopic Weight
232.109944378
ChemAxon
SMILES
COC1=CC(=O)OC(C1)\C=C\C1=CCCC=C1
ChemAxon
Molecular Formula
C14H16O3
ChemAxon
InChI
InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h3,5-8,10,12H,2,4,9H2,1H3/b8-7+
ChemAxon
InChIKey
InChIKey=OMNGEVNATYFZGG-BQYQJAHWSA-N
ChemAxon
Polar Surface Area (PSA)
35.53
ChemAxon
Refractivity
70.38
ChemAxon
Polarizability
25.66
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest acidic)
16.55
ChemAxon
pKa (strongest basic)
-4.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5281052
PubChem Substance
46505711
KEGG Compound
C07611
ChemSpider
4444512
Wikipedia
Kava-kava
Drugs.com
http://www.drugs.com/cdi/kava.html
"
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"Kava"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource appears as object in 26 triples