Summary

IMPPAT Phytochemical identifier: IMPHY009016

Phytochemical name: Physoperuvine

Synonymous chemical names:
physoperuvine

External chemical identifiers:
CID:443008, ChEBI:8186, SureChEMBL:SCHEMBL17274595, MolPort-046-153-867

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Chemical structure information

SMILES:
CN1C2CCCC1(O)CC2

InChI:
InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3

InChIKey:
BKWVNPXVPQOROM-UHFFFAOYSA-N

DeepSMILES:
CNCCCCC6O)CC7

Functional groups:
CN(C)C(C)(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: 1.177

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Chemical structure download