Summary

IMPPAT Phytochemical identifier: IMPHY005155

Phytochemical name: Strigosine

Synonymous chemical names:
strigosine

External chemical identifiers:
CID:169554

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Chemical structure information

SMILES:
CCC(C(C(=O)OCC1CCN2C1CCC2)O)(O)C

InChI:
InChI=1S/C14H25NO4/c1-3-14(2,18)12(16)13(17)19-9-10-6-8-15-7-4-5-11(10)15/h10-12,16,18H,3-9H2,1-2H3

InChIKey:
NQWNEWFDQVQZAT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)OCCCCNC5CCC5)))))))))))O))O)C

Functional groups:
CN(C)C, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 0.806

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Chemical structure download