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Home Other Building Blocks 4-methyl-5-pentylbenzene-1,3-diol

4-methyl-5-pentylbenzene-1,3-diol

CAS No.:
889104-80-7
Catalog Number:
AG01FFXR
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
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Product Description
Catalog Number:
AG01FFXR
Chemical Name:
4-methyl-5-pentylbenzene-1,3-diol
CAS Number:
889104-80-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD24727278
IUPAC Name:
4-methyl-5-pentylbenzene-1,3-diol
InChI:
InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)8-12(14)9(10)2/h7-8,13-14H,3-6H2,1-2H3
InChI Key:
CUXFFBBWEJOYAI-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(O)cc(c1C)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
The polyketide MPBD initiates the SDF-1 signaling cascade that coordinates terminal differentiation in Dictyostelium. Eukaryotic cell 20110701
Dictyostelium hybrid polyketide synthase, SteelyA, produces 4-methyl-5-pentylbenzene-1,3-diol and induces spore maturation. FEMS microbiology letters 20110601
Dissecting the functional role of polyketide synthases in Dictyostelium discoideum: biosynthesis of the differentiation regulating factor 4-methyl-5-pentylbenzene-1,3-diol. The Journal of biological chemistry 20080425
Anti-leukemic activities of Dictyostelium secondary metabolites: a novel aromatic metabolite, 4-methyl-5-n-pentylbenzene-1,3-diol, isolated from Dictyostelium mucoroides suppresses cell growth in human leukemia K562 and HL-60 cells. Life sciences 20061214
Identification of new differentiation inducing factors from Dictyostelium discoideum. Biochimica et biophysica acta 20060501
Properties