trans-5-O-(4-coumaroyl)-D-quinic acid (Q27098307)

UNII-4C4BU5688G (English)

(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

4 October 2016

stereoisomer of

2 references

inferred from InChIKey

(Z)-5-p-coumaroylquinic acid

2 references

inferred from InChIKey

3-p-Coumaroylquinic acid

1 reference

p-Coumaroylquinic acid

1 reference

(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

(Z)-3-p-coumaroylquinic acid

1 reference

(1R,3S,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

(1R,3S,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

1 reference

BMRSEYFENKXDIS-DUPGQFARSA-N

1 reference

5-p-coumaroylquinic acid

1 reference

3-p-coumaroylquinic acid

1 reference

(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

1 reference

chemical formula

C₁₆H₁₈O₈

1 reference

UNII-4C4BU5688G (English)

4 October 2016

canonical SMILES

C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O)O

1 reference

UNII-4C4BU5688G (English)

4 October 2016

isomeric SMILES

C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O

1 reference

Anthocyanins from flowers of Cichorium intybus

UNII-4C4BU5688G (English)

4 October 2016

1 reference

Hypericum perforatum

1 reference

Identification of the major constituents of Hypericum perforatum by LC/SPE/NMR and/or LC/MS.

Kunzea ambigua

1 reference

Phloroglucinol diglycosides accompanying hydrolyzable tannins from Kunzea ambigua

Solidago altissima

1 reference

A new kaempferol trioside from Solidago altissima L.

strawberries

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Malus domestica

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Prunus armeniaca

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Prunus avium

2 references

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Postharvest changes in primary and secondary metabolites of sweet cherry cultivars induced by Monilinia laxa

Prunus cerasus

2 references

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Antioxidant properties of sour cherries (Prunus cerasus L.): role of colorless phytochemicals from the methanolic extract of ripe fruits

Prunus domestica

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

peach

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Pyrus communis

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Ribes nigrum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Ribes rubrum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Ribes uva-crispa

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Rubus

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Vaccinium corymbosum

1 reference

Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits

Albizia julibrissin

1 reference

Flavine und Zimts�urederivat im Zusammenhang mit der lichtinduzierten Blatt�ffnung beiAlbizia julibrissin

Centaurea montana

1 reference

Montamine, a unique dimeric indole alkaloid, from the seeds of Centaurea montana (Asteraceae), and its in vitro cytotoxic activity against the CaCo2 colon cancer cells

Cydonia oblonga

1 reference

Antioxidant and antiproliferative activities of phytochemicals from Quince (Cydonia vulgaris) peels

Cydonia vulgaris

1 reference

Antioxidant and antiproliferative activities of phytochemicals from Quince (Cydonia vulgaris) peels

Hydrangea macrophylla

1 reference

Copigments in the blueing of sepal colour of Hydrangea macrophylla

Lactuca indica

1 reference

Isolation of quinic acid derivatives and flavonoids from the aerial parts of Lactuca indica L. and their hepatoprotective activity in vitro

Loropetalum chinense

1 reference

Hydrolysable tannins from Loropetalum chinense

Onobrychis viciifolia

2 references

Phenolic glycosides of forage legume Onobrychis viciifolia

Identification and quantification of phenolic compounds from the forage legume sainfoin ( Onobrychis viciifolia ).

Erigeron breviscapus

1 reference

Characterization of phenolic compounds in Erigeron breviscapus by liquid chromatography coupled to electrospray ionization mass spectrometry

Lonicera japonica

2 references

Diagnostic fragment-ion-based and extension strategy coupled to DFIs intensity analysis for identification of chlorogenic acids isomers in Flos Lonicerae Japonicae by HPLC-ESI-MS(n).

Polyphenolic extract isolated from Korean Lonicera japonica Thunb. induce G2/M cell cycle arrest and apoptosis in HepG2 cells: involvements of PI3K/Akt and MAPKs

Tribulus terrestris

1 reference

Chemical constituents from Tribulus terrestris and screening of their antioxidant activity

Cynara cardunculus

1 reference

Metabolomics driven analysis of artichoke leaf and its commercial products via UHPLC-q-TOF-MS and chemometrics.

Brassica oleracea

1 reference

Phytochemical fingerprinting of vegetable Brassica oleracea and Brassica napus by simultaneous identification of glucosinolates and phenolics

Malus pumila

1 reference

Quinic acid esters of hydroxycinnamic acids in stone and pome fruit

Identifiers

InChI

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1

1 reference

UNII-4C4BU5688G (English)

4 October 2016

2 references

UNII-4C4BU5688G (English)

4 October 2016

ChEBI release 2020-09-01

CAS Registry Number

5746-55-4

1 reference

Global Substance Registration System

UNII

4C4BU5688G

5-P-COUMAROYLQUINIC ACID (English)

4 October 2016

1 reference

(1S,3R,4R,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid (English)

4 October 2016

2 references

UNII-4C4BU5688G (English)

4 October 2016

ChEBI ID

15937

mapping relation type

2 references

trans-5-O-(4-coumaroyl)-D-quinic acid (English)

4 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1

1 reference

splash10-0002-1900000000-8ee199c3f8b4f2712f24

CHEMBL284243 (English)

4 October 2016

1 reference

0 references

splash10-01q9-0129000000-b1192c009609ad9b4cc2

0 references

splash10-03di-0900000000-703045b60343a9cf4a18

0 references

splash10-0006-0900000000-196568a9dacffa87e706

0 references

Human Metabolome Database ID

HMDB0301709

2 references

inferred from InChIKey

UNII

4C4BU5688G

2 references

Global Substance Registration System

UNII

4C4BU5688G

5-P-COUMAROYLQUINIC ACID (English)

4 October 2016