MetaCyc Compound: 1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one

Citations: [Holscher95]

Chemical Formula: C19H18O3

Molecular Weight: 294.35 Daltons

Monoisotopic Molecular Weight: 294.1255944441 Daltons

1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one compound structure


InChI: InChI=1S/C19H18O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-9,11,13-14,21-22H,10,12H2/b8-4+,9-5+


Unification Links: ChemSpider:556892 , PubChem:641619

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 183.9702 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

phenylphenalenone biosynthesis :
1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one → lachnanthocarpone

Reactions known to produce the compound:

phenylphenalenone biosynthesis :
(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one → 1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one

In Reactions of unknown directionality:

Not in pathways:
1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one = 4-[(4E,6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]cyclohexa-3,5-diene-1,2-dione

Created 22-Feb-2010 by Dreher KA , TAIR


Holscher95: Holscher, D., Schneider, B. (1995). "A diarylheptanoid intermediate in the biosynthesis of phenylphenalenones in Anigozanthos preissii." Journal of the Chemical Society Chemical Communications, 525-526.

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.0 on Tue Oct 13, 2015, biocyc13.