(Q104397287)

English

[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-Hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

638.221070516 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₁₅

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(OC)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

COc1cc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)ccc1O

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found in taxon

Cistanche salsa

2 references

stated in

[Pharmacological studies on Cistanchis Herba. I. Effects of the constituents of Cistanchis Herba on sex and learning behavior in chronic stressed mice (1)]

stated in

Studies on the constituents of cistanchis herba. IV. Isolation and structures of two new phenylpropanoid glycosides, cistanosides C and D.

Pedicularis lasiophrys

1 reference

stated in

Phenylpropanoid and iridoid glycosides from Pedicularis lasiophrys

Cistanche deserticola

1 reference

stated in

[Constituents of Cistanchis herba (1)]

Pedicularis longiflora

1 reference

stated in

Phenylpropanoid and iridoid glycosides from Pedicularis longiflora

Phlomoides rotata

3 references

stated in

Phenylpropanoid glycosides from Lamiophlomis rotata

stated in

Phenylpropanoid glycosides from Lamiophlomis rotata

stated in

Phenylpropanoid glycosides from Lamiophlomis rotata

Lancea tibetica

1 reference

stated in

Lignan and phenylpropanoid glycosides from Lancea tibetica and their antitumor activity

Pedicularis artselaeri

1 reference

stated in

Iridoid and phenylpropanoid glycosides from Pedicularis artselaeri

Pedicularis semitorta

1 reference

stated in

Phenylpropanoid and iridoid glycosides from Pedicularis striata

Pedicularis torta

2 references

stated in

Lignan, phenylpropanoid and iridoid glycosides from Pedicularis torta

stated in

Lignan, phenylpropanoid and iridoid glycosides from Pedicularis torta

Pedicularis verticillata

2 references

stated in

Neolignan, phenylpropanoid and iridoid glycosides from Pedicularis verticillata

stated in

Neolignan, phenylpropanoid and iridoid glycosides from Pedicularis verticillata

Cistanche tubulosa

1 reference

stated in

Structural characterisation and identification of phenylethanoid glycosides from Cistanches deserticola Y.C. Ma by UHPLC/ESI-QTOF-MS/MS

Cistanche phelypaea

1 reference

stated in

Structural characterisation and identification of phenylethanoid glycosides from Cistanches deserticola Y.C. Ma by UHPLC/ESI-QTOF-MS/MS

Identifiers

InChI

InChI=1S/C30H38O15/c1-14-23(36)24(37)25(38)30(42-14)45-28-26(39)29(41-10-9-16-4-7-18(33)20(12-16)40-2)43-21(13-31)27(28)44-22(35)8-5-15-3-6-17(32)19(34)11-15/h3-8,11-12,14,21,23-34,36-39H,9-10,13H2,1-2H3/b8-5+/t14-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1

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InChIKey

SUNMCVVGOLDIKD-CPPDSBOHSA-N

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CAS Registry Number

94492-22-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SUNMCVVGOLDIKD-CPPDSBOHSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SUNMCVVGOLDIKD-CPPDSBOHSA-N

(Q104397287)

[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Identifiers

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