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13120-66-6 | 2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexen-1-yl)-3-hydroxy-5-methyl-
CAS No: 13120-66-6 Catalog No: AG000VPK MDL No:
Product Description
Catalog Number:
AG000VPK
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexen-1-yl)-3-hydroxy-5-methyl-
CAS Number:
13120-66-6
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
3-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6,8,10,18H,5,7H2,1-4H3
InChI Key:
JZXORCGMYQZBBQ-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C1=C(O)C(=O)C(=CC1=O)C)C)C
NSC Number:
365793
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis, cytotoxic and antioxidant evaluations of amino derivatives from perezone. | Bioorganic & medicinal chemistry 20120901 |
| Conformational analysis of perezone and dihydroperezone using vibrational circular dichroism. | Phytochemistry 20120201 |
| Antifeedant and phytotoxic activity of the sesquiterpene p-benzoquinone perezone and some of its derivatives. | Journal of chemical ecology 20080601 |
| Remote position substituents as modulators of conformational and reactive properties of quinones. Relevance of the pi/pi intramolecular interaction. | The Journal of organic chemistry 20070316 |
| Transcutaneous electrical nerve stimulation prevents visceral pain in mice. | Canadian journal of anaesthesia = Journal canadien d'anesthesie 20040401 |
| Effect of perezone, aminoperezone and their corresponding isomers isoperezone and isoaminoperezone upon in vitro platelet aggregation. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20011101 |
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