(Q105262820)

English

(4R)-5-{[(2Z,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-3,4-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

chemical compound

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type of chemical entity

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subclass of

5-{[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-3,4-dihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

593.174454672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S)-5-{[(2Z,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-3,4-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₇H₃₁NO₁₄

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canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C=2C(=O)C=C(C(O)=C3NC(CO)C(O)C3O)C(O)(C2O)C4OC(CO)C(O)C(O)C4O

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isomeric SMILES

O=C1C=C(/C(O)=C2/N[C@H](CO)[C@@H](O)[C@@H]2O)[C@@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1C(=O)/C=C/c1ccc(O)cc1

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found in taxon

Carthamus tinctorius

1 reference

stated in

Tinctormine, a novel Ca2+ antagonist N-containing quinochalcone C-glycoside from Carthamus tinctorius L

Identifiers

InChI

InChI=1S/C27H31NO14/c29-8-13-20(35)22(37)18(28-13)19(34)12-7-15(33)17(14(32)6-3-10-1-4-11(31)5-2-10)25(40)27(12,41)26-24(39)23(38)21(36)16(9-30)42-26/h1-7,13,16,20-24,26,28-31,34-41H,8-9H2/b6-3+,19-18-/t13-,16-,20-,21-,22-,23+,24-,26-,27+/m1/s1

(Q105262820)

(4R)-5-{[(2Z,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-3,4-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

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