4,5-dicaffeoylquinic acid (Q27106970)

3,4-Dicaffeoylquinic acid (English)

5 October 2016

chemical formula

C₂₅H₂₄O₁₂

1 reference

Isochlorogenic acid b (English)

20 November 2016

canonical SMILES

C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

1 reference

Isochlorogenic acid b (English)

20 November 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)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O

1 reference

Two flavonoids and other compounds from the aerial parts of Centaurea bracteata from Italy

Isochlorogenic acid b (English)

20 November 2016

1 reference

Dichrocephala bicolor

2 references

Immunomodulatory principles of Dichrocephala bicolor

Immunomodulatory principles of Dichrocephala bicolor

Ostericum grosseserratum

1 reference

A new chromone, 11-hydroxy-sec-O-glucosylhamaudol from Ostericum koreanum.

Pteris multifida

1 reference

Chemical and biologically active constituents of Pteris multifida

Pterocaulon virgatum

1 reference

Isopurpurasol, a coumarin from Pterocaulon virgatum

Solidago altissima

1 reference

A new kaempferol trioside from Solidago altissima L.

Strychnos axillaris

1 reference

Phenolic and iridoid glycosides from Strychnos axillaris

Strychnos lucida

1 reference

A quinic acid ester from Strychnos lucida

Cynara scolymus

1 reference

HPLC Evaluation of the Active Constituents in the Newly Introduced Romanian Strain of Cynara scolymus Cultivated in Egypt

Ipomoea pes-caprae

1 reference

Collagenase inhibitory quinic acid esters from Ipomoea pes-caprae

Coffea arabica

1 reference

Contribution of chlorogenic acids to the iron-reducing activity of coffee beverages

Coffea canephora

1 reference

Contribution of chlorogenic acids to the iron-reducing activity of coffee beverages

Acmella ciliata

1 reference

New phenolic compounds of Acmella ciliata

tarragon

1 reference

Bioassay-guided isolation of aldose reductase inhibitors from Artemisia dracunculus

Aster scaber

1 reference

A new caffeoyl quinic acid from aster scaber and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase

Baccharis dracunculifolia

1 reference

Studies on the constituents from the aerial part of Baccharis dracunculifolia DC.

Bidens pilosa

1 reference

Polyacetylenic compounds and butanol fraction from Bidens pilosa can modulate the differentiation of helper T cells and prevent autoimmune diabetes in non-obese diabetic mice

Centella asiatica

1 reference

The anti-thrombotic active constituents from Centella asiatica

Chrysanthemum morifolium

1 reference

Xanthine oxidase inhibitors from the flowers of Chrysanthemum sinense

Crassocephalum crepidioides

1 reference

Free radical scavenging and hepatoprotective actions of the medicinal herb, Crassocephalum crepidioides from the Okinawa Islands

Cressa cretica

1 reference

Isolation and NMR spectra of syringaresinol-beta-D-glucoside from Cressa cretica

Stenostomum acreanum

1 reference

Phytochemical and pharmacological studies of Guettarda acreana

Ilex argentina

1 reference

Phenolic compounds in seven South American Ilex species

Ilex brevicuspis

1 reference

Phenolic compounds in seven South American Ilex species

Ilex dumosa

1 reference

Phenolic compounds in seven South American Ilex species

Ilex microdonta

1 reference

Phenolic compounds in seven South American Ilex species

yerba mate

1 reference

Phenolic compounds in seven South American Ilex species

Ilex pseudobuxus

1 reference

Phenolic compounds in seven South American Ilex species

Ilex taubertiana

1 reference

Phenolic compounds in seven South American Ilex species

Ilex theezans

1 reference

Phenolic compounds in seven South American Ilex species

sweet potato

3 references

Identification and characterization of foliar polyphenolic composition in sweetpotato (Ipomoea batatas L.) genotypes

Changes in caffeic acid derivatives in sweet potato (Ipomoea batatas L.) during cooking and processing

Antimutagenicity of mono-, di-, and tricaffeoylquinic acid derivatives isolated from sweetpotato (Ipomoea batatas L.) leaf

Ipomoea cairica

1 reference

Constituents of Ipomoea cairica Ethanolic Extract

Isertia pittieri

1 reference

A new dicaffeoylquinic acid butyl ester from Isertia pittieri

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

Filago congesta

1 reference

Hydroxycinnamic acid esters from cell suspension cultures and plants of Leontopodium alpinum

Leontopodium alpinum

1 reference

Hydroxycinnamic acid esters from cell suspension cultures and plants of Leontopodium alpinum

Lychnophora pohlii

1 reference

Chemical constituents of Lychnophora pohlii and trypanocidal activity of crude plant extracts and of isolated compounds

Lychnophora staavioides

1 reference

Neuropharmacological effects in mice of Lychnophora species (Vernonieae, Asteraceae) and anticonvulsant activity of 4,5-di-O-[E]-caffeoylquinic acid isolated from the stem of L. rupestris and L. staavioides

Neonauclea sessilifolia

1 reference

Two chromone-secoiridoid glycosides and three indole alkaloid glycosides from Neonauclea sessilifolia

Petasites japonicus

1 reference

Medicinal Foodstuffs. XXXII. Novel Sesquiterpene Glycoside Sulfate, Fukinoside A, with Antiallergic Activity from Japanese Butterbur (Petasites japonicus)

Phagnalon rupestre

1 reference

Phagnalon rupestre as a source of compounds active on contact hypersensitivity

Neurolaena lobata

1 reference

Caffeoylquinic acids and some biological activities of Pluchea symphytifolia

Baccharis salicifolia

1 reference

Cyclohexanecarboxylic-Acid Derivatives fromPsiadia trinervia

Scorzonera latifolia

1 reference

Phenolic compounds from Scorzonera latifolia (Fisch. & Mey.) DC.

Scorzonera veratrifolia

1 reference

Two new 3-benzylphthalides from Scorzonera veratrifolia Fenzl

Youngia japonica

1 reference

Studies on the constituents of whole plants of Youngia japonica.

Takhtajaniantha austriaca

1 reference

Phenolic compounds from Scorzonera latifolia (Fisch. & Mey.) DC.

Dracocephalum ruyschiana

1 reference

Flavone tetraglycosides and benzyl alcohol glycosides from the Mongolian medicinal plant Dracocephalum ruyschiana.

Tripolium pannonicum

1 reference

Synthesis and bioactivity of tripolinolate A from Tripolium vulgare and its analogs

Tripolium vulgare

1 reference

Synthesis and bioactivity of tripolinolate A from Tripolium vulgare and its analogs

Nicotiana tabacum

1 reference

Phenylpropanoid Defences in Nicotiana tabacum Cells: Overlapping Metabolomes Indicate Common Aspects to Priming Responses Induced by Lipopolysaccharides, Chitosan and Flagellin-22

Coffea

1 reference

Quantitation of volatiles and nonvolatile acids in an extract from coffee beverages: correlation with antioxidant activity

Cardiagyris scabra

1 reference

A new caffeoyl quinic acid from aster scaber and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase

Symphyotrichum undulatum

1 reference

A new caffeoyl quinic acid from aster scaber and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase

Artemisia annua

2 references

Characterization of phenolic compounds in the Chinese herbal drug Artemisia annua by liquid chromatography coupled to electrospray ionization mass spectrometry

Phytochemical analysis of a herbal tea from Artemisia annua L.

Chamaemelum nobile

1 reference

Nutrients, phytochemicals and bioactivity of wild Roman chamomile: a comparison between the herb and its preparations

common sunflower

1 reference

Identification and quantification of phenolic compounds from sunflower (Helianthus annuus L.) kernels and shells by HPLC-DAD/ESI-MSn

Lonicera japonica

1 reference

Influence of sulfur fumigation on the chemical constituents and antioxidant activity of buds of Lonicera japonica

Cynara cardunculus

1 reference

HPLC Evaluation of the Active Constituents in the Newly Introduced Romanian Strain of Cynara scolymus Cultivated in Egypt

Identifiers

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

1 reference

Isochlorogenic acid b (English)

20 November 2016

2 references

Isochlorogenic acid b (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

89886-31-7

1 reference

Global Substance Registration System

UNII

45777W94HK

4,5-dicaffeoylquinic acid (English)

20 November 2016

1 reference

(1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid (English)

20 November 2016

2 references

Isochlorogenic acid b (English)

20 November 2016

ChEBI ID

5995

mapping relation type

2 references

CHEMBL249448 (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

1 reference

CHEMBL249448 (English)

20 November 2016

2 references

inferred from InChIKey

SCHEMBL18317178

2 references

based on heuristic

inferred from InChIKey

splash10-03di-0900000000-b4947fc39d5cbfac96ab

1 reference

0 references

splash10-03di-0900000000-b65d937e99b4ef96e5a5

0 references

splash10-00gl-0900000000-4227302947b083058737

0 references

splash10-001l-1900000000-ee7df01b8525472ef471

0 references

splash10-03di-0900000000-b71d919a41ae4f4c562b

0 references

splash10-03di-0503090000-35c812373ee1700b5d8d

0 references

splash10-03di-0900100000-aed55d12399709f511a7

0 references

splash10-0udi-0119000000-5cee83718adf7b6431fa

0 references

Human Metabolome Database ID

HMDB0030705

2 references

based on heuristic

inferred from InChIKey

1 reference

Global Substance Registration System

Isochlorogenic acid b (English)

5 October 2016

2 references

UNII

45777W94HK

4,5-dicaffeoylquinic acid (English)

20 November 2016

0 references

1 reference

Isochlorogenic acid b (English)