agnuside (Q16826128)

[(1S,4aS,5R,7aR)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

Agnuside (English)

14 October 2016

2 references

inferred from InChIKey

[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

2 references

inferred from InChIKey

[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

1 reference

[(1S,4aS,5R,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

1 reference

chemical formula

C₂₂H₂₆O₁₁

1 reference

Agnuside (English)

14 October 2016

C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O

1 reference

Agnuside (English)

14 October 2016

C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

1 reference

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Agnuside (English)

14 October 2016

1 reference

Vitex rotundifolia

6 references

Association between chemical and genetic variation of Vitex rotundifolia populations from different locations in China: its implication for quality control of medicinal plants.

Evaluation of the estrogenic activity of the constituents in the fruits of Vitex rotundifolia L. for the potential treatment of premenstrual syndrome

Pharmacologically active components of viticis fructus (Vitex rotundifolia). II. The components having analgesic effects

Two New Iridoids from Viticis trifoliae Fructus (Fruit of Vitex rotundiSolia L.).

Pharmacologically active components of viticis fructus (Vitex rotundifolia). II. The components having analgesic effects

Iridoid and phenolic glucoside from Vitex rotundifolia

Crescentia cujete

1 reference

Iridoids and iridoid glucosides from fruits of Crescentia cujete

Globularia davisiana

1 reference

Iridoid glycosides from Globularia davisiana

Vitex agnus-castus

3 references

Glucosides from Vitex agnus-castus.

Q94517493

[Pseudoindican from Vitex agnus castus L]

Vitex limonifolia

1 reference

Iridoids of Vitex limonifolia

Vitex negundo

3 references

Two isomeric flavanones from vitex negundo

New antifungal flavonoid glycoside from Vitex negundo.

Flavonoid Glycoside and Long Chain Ester from the Roots of Vitex negundo

Vitex peduncularis

1 reference

Iridoids with anti-inflammatory activity from Vitex peduncularis

Vitex cymosa

1 reference

Iridoids from Vitex cymosa

Castilleja tenuiflora

1 reference

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Vitex mollis

1 reference

In vitro COX-1 and COX-2 enzyme inhibitory activities of iridoids from Penstemon barbatus, Castilleja tenuiflora, Cresentia alata and Vitex mollis

Lamium album

1 reference

Lamiridosins, hepatitis C virus entry inhibitors from Lamium album.

Identifiers

InChI

InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

1 reference

Agnuside (English)

14 October 2016

1 reference

AJNRZGCOXRHMEZ-ZDRHXKJUSA-N

English

title

Agnuside (English)

retrieved

14 October 2016

reason for deprecated rank

cannot be confirmed by other sources

1 reference

ChEBI release 2020-09-01

CAS Registry Number

11027-63-7

2 references

Global Substance Registration System

UNII

JB24Q0OT9G

agnuside (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=11027-63-7

8 April 2021

1 reference

Agnuside (English)

14 October 2016

2 references

English

title

Agnuside (English)

retrieved

14 October 2016

InChIKey

ChEBI ID

2515

mapping relation type

exact match

3 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1

1 reference

splash10-000i-0000900000-349b66cb32f53e6d6e3c

AGNUSIDE (English)

14 October 2016

1 reference

0 references

DSSTox substance ID

DTXSID10149191

2 references

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

InChIKey

DSSTOX compound identifier

DTXCID9071682

0 references

EC number

683-191-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Agnuside (English)

CAS no.: 11027-63-7 (English)

ECHA Substance Infocard ID

100.208.702

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Agnuside (English)

CAS no.: 11027-63-7 (English)

UNII

JB24Q0OT9G

2 references

Global Substance Registration System

UNII

JB24Q0OT9G

English

title

agnuside (English)

retrieved

14 October 2016

InChIKey