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15071-61-1 | 1,3-Benzenediol, 5-(8,11,14-pentadecatrien-1-yl)-
CAS No: 15071-61-1 Catalog No: AG001MT2 MDL No:
Product Description
Catalog Number:
AG001MT2
Chemical Name:
1,3-Benzenediol, 5-(8,11,14-pentadecatrien-1-yl)-
CAS Number:
15071-61-1
Molecular Formula:
C21H30O2
Molecular Weight:
314.4617
IUPAC Name:
5-pentadeca-8,11,14-trienylbenzene-1,3-diol
InChI:
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2
InChI Key:
OOXBEOHCOCMKAC-UHFFFAOYSA-N
SMILES:
C=CCC=CCC=CCCCCCCCc1cc(O)cc(c1)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.469g/mol
Monoisotopic Mass:
314.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Irreversible competitive inhibitory kinetics of cardol triene on mushroom tyrosinase. | Journal of agricultural and food chemistry 20101222 |
| Alkylresorcinol synthases expressed in Sorghum bicolor root hairs play an essential role in the biosynthesis of the allelopathic benzoquinone sorgoleone. | The Plant cell 20100301 |
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