(Q104888293)

English

methyl (2S,3R,4R)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 3-ethenyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (2S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

530.226430668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2alpha-(beta-D-Glucopyranosyloxy)-3beta-vinyl-4beta-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1alpha-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3alpha(S)-strictosidine

2 references

based on heuristic

inferred from InChIKey

1 reference

methyl (2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄N₂O₉

0 references

canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCC=4C=5C=CC=CC5NC43

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21

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found in taxon

Amsonia orientalis

1 reference

stated in

The Isolation and Structure of Strictimine, a New Piperidine Alkaloid from the Roots of Rhazya stricta

Alstonia angustiloba

1 reference

stated in

Angustilobine and andranginine type indole alkaloids and an uleine-secovallesamine bisindole alkaloid from Alstonia angustiloba.

Alstonia scholaris

1 reference

stated in

Indole alkaloids from the leaves of Philippine Alstonia scholaris

Chimarrhis turbinata

1 reference

stated in

Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors

Tabernaemontana bovina

1 reference

stated in

Iboga-Type Alkaloids from Ervatamia officinalis

Palicourea acuminata

1 reference

stated in

Chemodiversity of tryptamine-derived alkaloids in six Costa Rican Palicourea species (Rubiaceae-Palicoureeae).

Palicourea winkleri

1 reference

stated in

Chemodiversity of tryptamine-derived alkaloids in six Costa Rican Palicourea species (Rubiaceae-Palicoureeae).

Rauvolfia serpentina

1 reference

stated in

New alkaloids of the sarpagine group from Rauvolfia serpentina hairy root culture.

Strychnos mellodora

1 reference

stated in

Glucoindole alkaloids from stem bark of Strychnos mellodora

Palicourea tsakiana

1 reference

stated in

Chemodiversity of tryptamine-derived alkaloids in six Costa Rican Palicourea species (Rubiaceae-Palicoureeae).

Palicourea cyanococca

1 reference

stated in

Chemodiversity of tryptamine-derived alkaloids in six Costa Rican Palicourea species (Rubiaceae-Palicoureeae).

Identifiers

InChI

InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16-,19+,20-,22-,23+,24-,26+,27+/m1/s1

0 references

InChIKey

XBAMJZTXGWPTRM-YNUCFGNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBAMJZTXGWPTRM-YNUCFGNCSA-N

1 reference

(Q104888293)

methyl (2S,3R,4R)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

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