Summary

IMPPAT Phytochemical identifier: IMPHY014751

Phytochemical name: 2,6-Dihydroxytropane

Synonymous chemical names:
2,6-dihydroxytropane

External chemical identifiers:
CID:67027613, SureChEMBL:SCHEMBL1427857

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Chemical structure information

SMILES:
OC1CC[C@H]2N([C@@H]1CC2O)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/t5-,6-,7?,8?/m1/s1

InChIKey:
ZKNMCJMDJTZIFN-INFAEJQFSA-N

DeepSMILES:
OCCC[C@H]N[C@@H]6CC5O))))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