Tìm theo
Kava
Thuốc Gốc
Small Molecule
CAS: 9000-38-8
CTHH: C14H16O3
PTK: 232.275
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H16O3
Phân tử khối
232.275
Monoisotopic mass
232.109944378
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+
InChI Key
InChIKey=OMNGEVNATYFZGG-BQYQJAHWSA-N
IUPAC Name
6-[(E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
Traditional IUPAC Name
6-[(E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl]-4-methoxy-5,6-dihydropyran-2-one
SMILES
COC1=CC(=O)OC(C1)\C=C\C1=CCCC=C1
Độ hòa tan
6.32e-02 g/l
logP
2.05
logS
-3.6
pKa (strongest acidic)
16.55
pKa (Strongest Basic)
-4.8
PSA
35.53 Å2
Refractivity
70.38 m3·mol-1
Polarizability
25.66 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tương Tác Thuốc :
  • Alprazolam Kava may increase the effect of the benzodiazepine, alprazolam.
  • Chlordiazepoxide Kava may increase the effect of the benzodiazepine, chlordiazepoxide.
  • Clobazam Kava may increase the effect of the benzodiazepine, clobazam.
  • Clonazepam Kava may increase the effect of the benzodiazepine, clonazepam.
  • Clorazepate Kava may increase the effect of the benzodiazepine, clorazepate.
  • Diazepam Kava may increase the effect of the benzodiazepine, diazepam.
  • Estazolam Kava may increase the effect of the benzodiazepine, estazolam.
  • Flurazepam Kava may increase the effect of the benzodiazepine, flurazepam.
  • Lorazepam Kava may increase the effect of the benzodiazepine, lorazepam.
  • Midazolam Kava may increase the effect of the benzodiazepine, midazolam.
  • Oxazepam Kava may increase the effect of the benzodiazepine, oxazepam.
  • Temazepam Kava may increase the effect of the benzodiazepine, temazepam.
  • Triazolam Kava may increase the effect of the benzodiazepine, triazolam.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01322
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5281052
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505711
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C07611
ChemSpider
http://www.chemspider.com/Chemical-Structure.4444512.html
Wikipedia
http://en.wikipedia.org/wiki/Kava-kava
Drugs.com
http://www.drugs.com/cdi/kava.html
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