Summary

IMPPAT Phytochemical identifier: IMPHY014247

Phytochemical name: Valtropine

Synonymous chemical names:
valtropine

External chemical identifiers:
CID:12444666

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Chemical structure information

SMILES:
CCC(C(=O)OC1CC2CCC(C1)N2C)C

InChI:
InChI=1S/C13H23NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h9-12H,4-8H2,1-3H3

InChIKey:
OGQXAZJUVVPCRL-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCCCCC7)N5C))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC(C1)N2

Scaffold Graph/Node level:
C1CC2CCC(C1)N2

Scaffold Graph level:
C1CC2CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Tropane alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 1.149

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Chemical structure download