(Q27135330)

CHEMBL463337 (English)

methyl (1R,3R,4R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

methyl (3R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate

inferred from InChI

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₆H₂₆O₁₂

0 references

canonical SMILES

COC(C1(CC(C(C(C1)(OC(C(=C(C=2C=CC(=C(C2)O)O)[H])[H])=O)[H])(O)[H])(OC(C(=C(C=3C=CC(=C(C3)O)O)[H])[H])=O)[H])O)=O

1 reference

methyl 3,5-di-O-caffeoyl quinate (English)

7 October 2016

isomeric SMILES

COC([C@@]1(C[C@]([C@]([C@@](C1)(OC(/C(=C(/C=2C=CC(=C(C2)O)O)\[H])/[H])=O)[H])(O)[H])(OC(/C(=C(/C=3C=CC(=C(C3)O)O)\[H])/[H])=O)[H])O)=O

1 reference

methyl 3,5-di-O-caffeoyl quinate (English)

7 October 2016

found in taxon

Dichrocephala bicolor

2 references

Immunomodulatory principles of Dichrocephala bicolor

Immunomodulatory principles of Dichrocephala bicolor

Ipomoea pes-caprae

1 reference

Collagenase inhibitory quinic acid esters from Ipomoea pes-caprae

Phagnalon rupestre

3 references

Phenolic substances from Phagnalon rupestre protect against 2,4,6-trinitrochlorobenzene-induced contact hypersensitivity

Phenolic substances from Phagnalon rupestre protect against 2,4,6-trinitrochlorobenzene-induced contact hypersensitivity

Phagnalon rupestre as a source of compounds active on contact hypersensitivity

Artemisia caruifolia

1 reference

Inhibitory effects on HIV-1 protease of tri-p-coumaroylspermidine from Artemisia caruifolia and related amides

Aster indicus

1 reference

Phenolic derivatives from Aster indicus

Chaerophyllum hirsutum

1 reference

Cytotoxic constituents of roots of Chaerophyllum hirsutum

Chrysanthemum morifolium

1 reference

Xanthine oxidase inhibitors from the flowers of Chrysanthemum sinense

Q15561302

1 reference

New constituents from Mikania laevigata Shultz Bip. ex Baker

Schefflera heptaphylla

1 reference

A new ursane-type triterpenoid from Schefflera heptaphylla (L.) Frodin

Scorzonera veratrifolia

1 reference

Two new 3-benzylphthalides from Scorzonera veratrifolia Fenzl

Pulicaria wightiana

1 reference

Phenolic derivatives from Aster indicus

Spuriopimpinella calycina

1 reference

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Artemisia carvifolia

1 reference

Inhibitory effects on HIV-1 protease of tri-p-coumaroylspermidine from Artemisia caruifolia and related amides

Spuriopimpinella brachycarpa

1 reference

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Heptapleurum heptaphyllum

1 reference

A new ursane-type triterpenoid from Schefflera heptaphylla (L.) Frodin

Suaeda glauca

1 reference

In vitro hepatoprotective compounds from Suaeda glauca

Identifiers

InChI

InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1

1 reference

methyl 3,5-di-O-caffeoyl quinate (English)

VEBNYMXKXIIGFX-VOHNXBSUSA-N

7 October 2016

InChIKey

2 references

methyl 3,5-di-O-caffeoyl quinate (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

Methyl (3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,4-dihydroxycyclohexanecarboxylate (English)

7 October 2016

Reaxys registry number

9172717

1 reference

methyl 3,5-di-O-caffeoyl quinate (English)

7 October 2016

ChEBI ID

66708

mapping relation type

1 reference

methyl 3,5-di-O-caffeoyl quinate (English)

7 October 2016

1 reference

CHEMBL463337 (English)