Summary

IMPPAT Phytochemical identifier: IMPHY002693

Phytochemical name: 8-Methyl-8-azabicyclo[3.2.1]octane-2,6-diol

Synonymous chemical names:
8-methyl-8-azabicycol[3.2.1]octane-2,6-diol

External chemical identifiers:
CID:14447045, SureChEMBL:SCHEMBL1427859

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Chemical structure information

SMILES:
OC1CCC2N(C1CC2O)C

InChI:
InChI=1S/C8H15NO2/c1-9-5-2-3-7(10)6(9)4-8(5)11/h5-8,10-11H,2-4H2,1H3

InChIKey:
ZKNMCJMDJTZIFN-UHFFFAOYSA-N

DeepSMILES:
OCCCCNC6CC5O))))C

Functional groups:
CN(C)C, CO

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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: 2.088

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Chemical structure download