Summary

IMPPAT Phytochemical identifier: IMPHY006493

Phytochemical name: Tropane

Synonymous chemical names:
tropane, tropane (tropine)

External chemical identifiers:
CID:637986, ChEBI:35615, ZINC:ZINC000002504715, FDASRS:62QFG0728A, SureChEMBL:SCHEMBL44881

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Chemical structure information

SMILES:
CN1[C@@H]2CCC[C@H]1CC2

InChI:
InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+

InChIKey:
XLRPYZSEQKXZAA-OCAPTIKFSA-N

DeepSMILES:
CN[C@@H]CCC[C@H]6CC7

Functional groups:
CN(C)C

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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: 0.054

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Chemical structure download