(Q105210454)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,5-Di-O-caffeoylquinic acid methyl ester

1 reference

based on heuristic

inferred from SMILES

mass

530.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₆O₁₂

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)OC)CC(O)C1OC(=O)C=CC2=CC=C(O)C(O)=C2)C=CC3=CC=C(O)C(O)=C3

0 references

isomeric SMILES

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1

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found in taxon

Dichrocephala bicolor

1 reference

stated in

Immunomodulatory principles of Dichrocephala bicolor

Ipomoea pes-caprae

1 reference

stated in

Collagenase inhibitory quinic acid esters from Ipomoea pes-caprae

Aster indicus

1 reference

stated in

Phenolic derivatives from Aster indicus

Chrysanthemum morifolium

1 reference

stated in

Xanthine oxidase inhibitors from the flowers of Chrysanthemum sinense

Petasites japonicus

1 reference

stated in

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

Phagnalon rupestre

1 reference

stated in

Phagnalon rupestre as a source of compounds active on contact hypersensitivity

Scorzonera latifolia

1 reference

stated in

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

Vitex quinata

1 reference

stated in

Phytochemical and Bioactivity Studies on Constituents of the Leaves of Vitex Quinata

Pulicaria wightiana

1 reference

stated in

Phenolic derivatives from Aster indicus

Takhtajaniantha austriaca

1 reference

stated in

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

Spuriopimpinella calycina

1 reference

stated in

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

Spuriopimpinella brachycarpa

1 reference

stated in

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

Ageratina adenophora

1 reference

stated in

Bioactive quinic acid derivatives from Ageratina adenophora.

Identifiers

InChI

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

0 references

InChIKey

PKJBSZTYNDRXEQ-VOHNXBSUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PKJBSZTYNDRXEQ-VOHNXBSUSA-N

1 reference

(Q105210454)

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

Statements

Identifiers

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