(Q27162448)

11beta,13-Dihydrolactucopicrin (English)

[(3S,3aS,4S,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₄O₇

1 reference

11beta,13-Dihydrolactucopicrin (English)

9 October 2016

canonical SMILES

CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O

1 reference

11beta,13-Dihydrolactucopicrin (English)

9 October 2016

isomeric SMILES

C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O

1 reference

Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.

11beta,13-Dihydrolactucopicrin (English)

9 October 2016

1 reference

Cichorium intybus

3 references

Guaianolide Sesquiterpene Lactones From Cichorium Intybus (Asteraceae) [1]

Guaianolides from Cichorium intybus and structure revision of Cichorium sesquiterpene lactones

Sesquiterpene Lactones from Cichorium intybus

Lactuca quercina

1 reference

Sesquiterpene lactones from Lactuca tatarica

Lactuca saligna

1 reference

Sesquiterpene lactones from Lactuca saligna

lettuce

2 references

Isolation and characterisation of the sesquiterpene lactones from Lactuca sativa L var. anagustata

Human Gut Microbiota Metabolism of Dietary Sesquiterpene Lactones: Untargeted Metabolomics Study of Lactucopicrin and Lactucin Conversion In Vitro and In Vivo

Lactuca virosa

1 reference

Minor sesquiterpene lactones from Lactuca virosa

Identifiers

InChI

InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1

1 reference

11beta,13-Dihydrolactucopicrin (English)

9 October 2016

2 references

11beta,13-Dihydrolactucopicrin (English)

9 October 2016

ChEBI release 2020-09-01

2 references

11beta,13-dihydrolactucopicrin (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=125519-47-3

9 April 2021

2 references

11beta,13-Dihydrolactucopicrin (English)

matched by identifier from

9 October 2016

Reaxys registry number

6670530

1 reference

11beta,13-dihydrolactucopicrin (English)

9 October 2016

ChEBI ID

90283

mapping relation type

2 references

11beta,13-dihydrolactucopicrin (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1

1 reference

1 reference

matched by identifier from

1 reference

11beta,13-dihydrolactucopicrin (English)