(Q27104421)

Calenduloside E (English)

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aS,6bR,8aR,12aR,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

5 October 2016

stereoisomer of

2 references

inferred from InChIKey

(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

2 references

inferred from InChIKey

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

chemical formula

C₃₆H₅₆O₉

1 reference

Calenduloside E (English)

18 November 2016

canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C

1 reference

Calenduloside E (English)

18 November 2016

isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

1 reference

Saponins with Molluscicidal Properties fromLonicera nigraL

Calenduloside E (English)

18 November 2016

1 reference

Aralia armata

1 reference

Triterpenoid glucuronide saponins from root bark of aralia armata

Aralia elata

5 references

Elatoside E, a new hypoglycemic principle from the root cortex of Aralia elata Seem.: structure-related hypoglycemic activity of oleanolic acid glycosides

Bioactive saponins and glycosides. VI. Elatosides A and B, potent inhibitors of ethanol absorption, from the bark of Aralia elata SEEM. (Araliaceae): the structure-requirement in oleanolic acid glucuronide-saponins for the inhibitory activity

Four new saponins from the root bark of Aralia elata

Four new saponins from the root bark of Aralia elata

Elatoside E, a new hypoglycemic principle from the root cortex of Aralia elata Seem.: structure-related hypoglycemic activity of oleanolic acid glycosides

Atriplex nummularia

1 reference

Atriplex nummularia, a Source for the Two Molluscicide Saponins: Hederagenin-3-O-β-D-Glucuronopyranoside and Calenduloside E

Chenopodium album

1 reference

Saponins from Chenopodium album

Hedera colchica

2 references

Triterpenoid saponins from berries of Hedera colchica

Triterpenoid saponins from berries of Hedera colchica

Hedera nepalensis

2 references

Studies on nepalese crude drugs. III. On the saponins of Hedera nepalensis K. Koch.

Studies on nepalese crude drugs. III. On the saponins of Hedera nepalensis K. Koch.

Eleutherococcus senticosus

1 reference

Pancreatic lipase-inhibiting triterpenoid saponins from fruits of Acanthopanax senticosus.

Anredera baselloides

1 reference

Boussingoside D1, a new triterpenoid saponin from Boussingaultia baselloides

Calendula officinalis

1 reference

Medicinal flowers. III. Marigold. (1): hypoglycemic, gastric emptying inhibitory, and gastroprotective principles and new oleanane-type triterpene oligoglycosides, calendasaponins A, B, C, and D, from Egyptian Calendula officinalis

Caryocar glabrum

1 reference

Triterpenoid saponins from the fruits of Caryocar glabrum

Chenopodium quinoa

2 references

Identification and Biological Activities of Triterpenoid Saponins fromChenopodium quinoa

Triterpene saponins from debittered quinoa (Chenopodium quinoa) seeds

Hedera canariensis

1 reference

Triterpene glycosides ofHedera canariensis. V. Structure of glycosides from canary ivy stems

Hedera helix

1 reference

Triterpene glycosides ofHedera canariensis. V. Structure of glycosides from canary ivy stems

Hedera taurica

1 reference

Triterpene glycosides ofHedera taurica XV. Structures of glycosides St-I3, St-I4a, St-I4b, and St-I5 from the stems of Crimean ivy

Medicago arabica

1 reference

New triterpenic saponins from the aerial parts of Medicago arabica (L.) huds

Pisonia umbellifera

1 reference

Saponins from Pisonia umbellifera

Polyscias scutellaria

1 reference

Triterpenic glycosides from Polyscias scutellaria

Tetrapanax papyrifer

1 reference

Triterpene Glycosides of Tetrapanax papyriferum. IV. Acidic Glycosides from Stem Bark of T. Papyriferum

Silphium laciniatum

1 reference

Digging Deep for New Compounds from the Compass Plant, Silphium laciniatum

Anredera cordifolia

1 reference

Boussingoside D1, a new triterpenoid saponin from Boussingaultia baselloides

Momordica charantia

1 reference

Isolation and Characterization of Two Momordins, Ribosome-Inactivating Proteins from the Seeds of Bitter Gourd (Momordica charantia)

Momordica cochinchinensis

1 reference

Saponins from roots of Momordica cochinchinensis

Identifiers

InChI

InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1

1 reference

Calenduloside E (English)

18 November 2016

2 references

Calenduloside E (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

26020-14-4

2 references

Global Substance Registration System

UNII

184358RYCU

calenduloside e (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=26020-14-4

8 April 2021

1 reference

(3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl beta-D-glucopyranosiduronic acid (English)

18 November 2016

1 reference

Calenduloside E (English)

18 November 2016

ChEBI ID

37658

mapping relation type

2 references

CHEMBL446866 (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1

1 reference

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

CHEMBL446866 (English)

18 November 2016

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

184358RYCU

calenduloside e (English)

Human Metabolome Database ID

18 November 2016

HMDB0302778

2 references

inferred from InChIKey

1 reference

Global Substance Registration System

oleanolic acid 3-O-beta-D-glucosiduronic acid (English)

5 October 2016

2 references

UNII

184358RYCU

calenduloside e (English)

18 November 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

0 references

1 reference

15 January 2022