Molecule

Nigrumin-5-ferulate

AlkaPlorer ID: AK073889

Synonym: ''

IUPAC Name: [(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Structure

SMILES: COC1=CC(/C=C/C(=O)OC/C(C#N)=C/CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O

InChI: InChI=1S/C21H25NO10/c1-29-15-8-12(2-4-14(15)24)3-5-17(25)31-11-13(9-22)6-7-30-21-20(28)19(27)18(26)16(10-23)32-21/h2-6,8,16,18-21,23-24,26-28H,7,10-11H2,1H3/b5-3+,13-6+/t16-,18-,19+,20-,21-/m1/s1

InChIKey: ZZGPJESHTGYKSG-QRAGBWBHSA-N

Reference

Nigrumin-5-p-coumarate and nigrumin-5-ferulate, two unusual nitrile-containing metabolites from black currant (Ribes nigrum) seed

PubChem CID: 11972424

LOTUS: LTS0097661

SuperNatural Ⅲ: SN0484333-05

NPASS: NPC106381

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ascidia ahodori	Ascidia	Ascidiidae	Phlebobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
Alternaria japonica	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Ribes nigrum	Ribes	Grossulariaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euplotes raikovi	Euplotes	Euplotidae	Euplotida	Spirotrichea	Ciliophora	None	Eukaryota
Pseudeurotium zonatum	Pseudeurotium	Pseudeurotiaceae	None	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Delphinium shawurense	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caulerpa serrulata	Caulerpa	Caulerpaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Fagraea gracilipes	Fagraea	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum violaceum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ratibida mexicana	Ratibida	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ceramium rubrum	Ceramium	Ceramiaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Aspergillus falconensis	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Ormosia balansae	Ormosia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Codonopsis pilosula	Codonopsis	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lathyrus nissolia	Lathyrus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Garcinia xipshuanbannaensis	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia sieboldii	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum graveolens	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinus brutia	Pinus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Cyberlindnera jadinii	Cyberlindnera	Phaffomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 451.4280000000001

TPSA？: 178.92999999999998

MolLogP？: -0.7763199999999999

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi