(Q27225464)

Celacinnine (English)

(2R)-2-phenyl-9-[(Z)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one

12 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₁N₃O₂

1 reference

Celacinnine (English)

12 October 2016

canonical SMILES

C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

1 reference

Celacinnine (English)

12 October 2016

isomeric SMILES

C1CCN(CCCNC(=O)C[C@H](NC1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

1 reference

Celacinnine (English)

12 October 2016

found in taxon

Tripterygium wilfordii

2 references

CHEMICAL CONSTITUENTS

Macrocyclic spermidine alkaloids from Maytenus serrata and Tripterygium wilfordii

Pleurostylia opposita

2 references

New Hydroxylated Spermidine Alkaloids fromPleurostylia opposita(WALL.) MERILL-METCALF

New Hydroxylated Spermidine Alkaloids fromPleurostylia opposita(WALL.) MERILL-METCALF

Identifiers

InChI

InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1

1 reference

Celacinnine (English)

OROFOUPCOTVAJQ-NSFRLNINSA-N

12 October 2016

InChIKey

2 references

Celacinnine (English)

12 October 2016

ChEBI release 2020-09-01

2 references

celacinnine (English)

OROFOUPCOTVAJQ-NSFRLNINSA-N

12 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=53938-05-9

1 reference

(2S)-2-Phenyl-9-[(2E)-3-phenyl-2-propenoyl]-1,5,9-triazacyclotridecan-4-one (English)

12 October 2016

1 reference

Celacinnine (English)

12 October 2016

Reaxys registry number

4720682

1 reference

celacinnine (English)

12 October 2016

ChEBI ID

132186

mapping relation type

1 reference