MetaCyc Compound: dalnigrein

Superclasses: an aromatic compoundan organic aromatic compounda phenylpropanoida flavonoidan isoflavonoidan isoflavone
an organic heterocyclic compoundan organic heterobicyclic compounda benzopyrana 1-benzopyrana chromenea flavonoidan isoflavonoidan isoflavone

Citations: [Chuankhayan05]

Chemical Formula: C19H18O7

Molecular Weight: 358.35 Daltons

Monoisotopic Molecular Weight: 358.1052529325 Daltons

dalnigrein compound structure

SMILES: COC1(=CC(=C(C=C1C2(C(=O)C3(C=C(C(=CC(OC=2)=3)O)OC)))OC)OC)

InChI: InChI=1S/C19H18O7/c1-22-14-8-18(25-4)17(24-3)5-10(14)12-9-26-15-7-13(20)16(23-2)6-11(15)19(12)21/h5-9,20H,1-4H3


Unification Links: ChEBI:55551, MetaboLights:MTBLC55551, PubChem:25202158

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 39.031178Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
an isoflavone + NADPH + H+ + oxygen → a 2'-hydroxyisoflavone + NADP+ + H2O

Not in pathways:
a flavonoid + NADPH + oxygen + H+ → a 3'-hydroxy-flavonoid + NADP+ + H2O

Reactions known to produce the compound:

dalpatein and dalnigrein biosynthesis :
dalnigrein 7-O-β-D-apiofuranosyl-(1-6)-β-D-glucopyranoside + H2O → dalnigrein + β-D-apiofuranosyl-(1->6)-D-glucose

In Reactions of unknown directionality:

Not in pathways:
an isoflavone + UDP-α-D-glucose = an isoflavone-7-O-β-D-glucoside + UDP


Chuankhayan05: Chuankhayan P, Hua Y, Svasti J, Sakdarat S, Sullivan PA, Ketudat Cairns JR (2005). "Purification of an isoflavonoid 7-O-beta-apiosyl-glucoside beta-glycosidase and its substrates from Dalbergia nigrescens Kurz." Phytochemistry 66(16);1880-9. PMID: 16098548

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
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