(Q27106958)

English

Isoalangiside

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

0 references

505.194796±0 dalton

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

stereoisomer of

(1S,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

1 reference

based on heuristic

inferred from InChI

(1R,15S,16S,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₁NO₁₀

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

canonical SMILES

COC1=C(C=C2C3CC4C(C(OC=C4C(=O)N3CCC2=C1)OC5C(C(C(C(O5)CO)O)O)O)C=C)O

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

isomeric SMILES

COC1=C(C=C2[C@@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

Alangium lamarckii

4 references

Five Tetrahydroisoquinoline-Monoterpene Glucosides and a Tetrahydro-β-carboline-monoterpene Glucoside from Alangium lamarckii

Alkaloids from Alangium javanicum and Alangium grisolleoides that mediate Cu2+-dependent DNA strand scission

Three Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii: The First Occurrence of Glucosides with the Same Absolute Configurations as Deacetylisoipecoside, a Key Intermediate in the Biosynthesis of Ipecac Alkaloids.

Three Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii: The First Occurrence of Glucosides with the Same Absolute Configurations as Deacetylisoipecoside, a Key Intermediate in the Biosynthesis of Ipecac Alkaloids.

Alangium grisolleoides

1 reference

Alkaloids from Alangium javanicum and Alangium grisolleoides that mediate Cu2+-dependent DNA strand scission

Alangium kurzii

1 reference

Alkaloids from Alangium javanicum and Alangium grisolleoides that mediate Cu2+-dependent DNA strand scission

Alangium longiflorum

1 reference

Alkaloids from Alangium javanicum and Alangium grisolleoides that mediate Cu2+-dependent DNA strand scission

Alangium salviifolium

3 references

Three Tetrahydroisoquinoline-Monoterpene Glucosides from Alangium lamarckii: The First Occurrence of Glucosides with the Same Absolute Configurations as Deacetylisoipecoside, a Key Intermediate in the Biosynthesis of Ipecac Alkaloids.

Alkaloids from Alangium javanicum and Alangium grisolleoides that mediate Cu2+-dependent DNA strand scission

Five Tetrahydroisoquinoline-Monoterpene Glucosides and a Tetrahydro-β-carboline-monoterpene Glucoside from Alangium lamarckii

Identifiers

InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

BCYNGTTVQNJTCV-ONGZBVEHSA-N

2 references

language of work or name

Isoalangiside (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

Isoalangiside (English)

5 October 2016

BCYNGTTVQNJTCV-ONGZBVEHSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=57128-91-3

1 reference

language of work or name

(11S,12R,12aS,13aS)-2-Hydroxy-3-methoxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6H,8H-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-11-yl beta-D-glucopyranoside (English)

5 October 2016

2 references

language of work or name

Isoalangiside (English)

5 October 2016

matched by identifier from

BCYNGTTVQNJTCV-ONGZBVEHSA-N

mapping relation type

2 references

language of work or name

Isoalangiside (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

BCYNGTTVQNJTCV-ONGZBVEHSA-N

DSSTOX compound identifier

0 references

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

1 reference

language of work or name

Isoalangiside (English)

5 October 2016

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