platyphylline (Q4364572)

(4E)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione

1 reference

(1S,4Z,6R,7S,11R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

(1R,4E,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

(4Z,11S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

chemical structure

Platyphylline.svg
430 × 435; 16 KB

0 references

mass

337.188922964 dalton

1 reference

(1R,4Z,6R,7S,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

stereoisomer of

2 references

inferred from InChIKey

2 references

inferred from InChIKey

(1R,4Z,6R,7R,11R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

2 references

inferred from InChIKey

(1R,4Z,6R,7S,11S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

(1R,4E,6S,7R,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

(1R,4Z,6S,7R,11S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

chemical formula

C₁₈H₂₇NO₅

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canonical SMILES

O=C1OC2CCN3CCC(COC(=O)C(O)(C)C(C)CC1=CC)C32

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isomeric SMILES

C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23

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found in taxon

Senecio jacalensis

1 reference

Pyrrolizidine alkaloids from Senecio longilobus and Senecio glabellus

Lotononis fruticoides

1 reference

A chemotaxonomic survey of major alkaloids in Lotononis and Buchenroedera

Lotononis lenticula

1 reference

A chemotaxonomic survey of major alkaloids in Lotononis and Buchenroedera

Lotononis parviflora

1 reference

A chemotaxonomic survey of major alkaloids in Lotononis and Buchenroedera

Pittocaulon praecox

2 references

Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases

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

Adenostyles alliariae

1 reference

Alkaloids of Adenostyles alliarae

2 references

Alkaloids ofLeucanthemum vulgare

Jacobaea cilicia

1 reference

Pyrrolizidine alkaloids from Senecio chrysocoma

Jacobaea boissieri

1 reference

Pyrrolizidine alkaloids from three Spanish Senecio species

Senecio hydrophilus

1 reference

Gc-ms Determination of Pyrrolizidine Alkaloids in Four Senecio Species

Senecio

1 reference

Study and optimization of the solid-phase extraction of platyphylline from ragweed

Senecio madrensis

1 reference

Pyrrolizidine alkaloids from four Senecio species

Jacobaea othonnae

1 reference

The Crystal Structure of Platyphylline and Molecular Conformational Analysis of Integerrimine

Senecio polypodioides

1 reference

Pyrrolizidine alkaloids from four Senecio species

Senecio triangularis

1 reference

The pyrrolizidine alkaloids of Senecio triangularis

Eastern groundsel

1 reference

Alkaloids ofSenecio vernalis growing in Georgia

Senecio adnatus

1 reference

South African Senecio Alkaloids

Cynoglossum officinale

1 reference

Pyrrolizidine alkaloids from Cynoglossum creticum

Caucasalia macrophylla

1 reference

The Alkaloids of Senecio Jacobæa

Senecio bollei

1 reference

The Alkaloids of Senecio Jacobæa

route of administration

oral administration

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subcutaneous injection

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Identifiers

InChI

InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1

1 reference

reference URL

https://pubchem.ncbi.nlm.nih.gov/compound/5281742

retrieved

April 2018

1 reference

ChEBI release 2020-09-01

CAS Registry Number

480-78-4

1 reference

https://commonchemistry.cas.org/detail?cas_rn=480-78-4

8 April 2021

0 references

1 reference

ChEBI ID

8264

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1

1 reference

1 reference

EC number

207-558-6

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.872

retrieved

27 December 2018

title

Platyphylline (English)

quotation

CAS no.: 480-78-4 (English)

ECHA Substance Infocard ID

100.006.872

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.872

retrieved

27 December 2018

title

Platyphylline (English)

quotation

CAS no.: 480-78-4 (English)

UNII

A91172AJBY

1 reference