jacoline (Q27291244)

UNII-USC51AR5V5 (English)

(1S,4R,6S,7S,17R)-4,7-dihydroxy-4-[(1S)-1-hydroxyethyl]-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₇NO₇

1 reference

UNII-USC51AR5V5 (English)

14 October 2016

canonical SMILES

CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)O)O

1 reference

UNII-USC51AR5V5 (English)

14 October 2016

isomeric SMILES

C[C@@H]1C[C@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]1(C)O)([C@@H](C)O)O

1 reference

Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968

UNII-USC51AR5V5 (English)

14 October 2016

1 reference

Crotalaria anagyroides

1 reference

Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968

Senecio jacobaea

4 references

Comparison of the toxicities of Senecio jacobaea, Senecio vulgaris and Senecio glabellus in rats

Pyrrolizidine alkaloids derived from Senecio jacobaea

Genetic analysis of the concentrations of pyrrolizidine alkaloids in Senecio jacobaea

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Senecio vulgaris

1 reference

Determination of Senecio alkaloids by thermospray liquid chromatography/mass spectrometry

Crassocephalum crepidioides

1 reference

Pyrrolizidine Alkaloids from Crassocephalum crepidioides

Jacobaea incana

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Senecio incanus

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Jacobaea minuta

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Senecio cinerarius

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Jacobaea gnaphalioides

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Jacobaea ambigua

1 reference

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Jacobaea vulgaris

4 references

Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).

Comparison of the toxicities of Senecio jacobaea, Senecio vulgaris and Senecio glabellus in rats

Pyrrolizidine alkaloids derived from Senecio jacobaea

Genetic analysis of the concentrations of pyrrolizidine alkaloids in Senecio jacobaea

Identifiers

InChI

InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17+,18-/m1/s1

1 reference

UNII-USC51AR5V5 (English)

14 October 2016

FMWJEBGSMAOQNN-MCCFIOHQSA-N

1 reference

UNII-USC51AR5V5 (English)

FMWJEBGSMAOQNN-YLFNNMARSA-N

14 October 2016

1 reference

ChEBI release 2020-09-01

CAS Registry Number

480-76-2

1 reference

Global Substance Registration System

UNII

USC51AR5V5

jacoline (English)

14 October 2016

2 references

UNII-USC51AR5V5 (English)

matched by identifier from

14 October 2016

FMWJEBGSMAOQNN-MCCFIOHQSA-N

78358487

1 reference

matched by identifier from

FMWJEBGSMAOQNN-YLFNNMARSA-N

ChEBI ID

136452

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

DSSTOX compound identifier

ChEBI release 2021-03-01

1 reference

0 references

0 references

2 references

Global Substance Registration System

UNII

USC51AR5V5

jacoline (English)

matched by identifier from

14 October 2016