Summary

IMPPAT Phytochemical identifier: IMPHY007911

Phytochemical name: Mikanecine

Synonymous chemical names:
dihydroretronecine

External chemical identifiers:
CID:6432513

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Chemical structure information

SMILES:
OC[C@H]1CCN2C1[C@H](O)CC2

InChI:
InChI=1S/C8H15NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h6-8,10-11H,1-5H2/t6-,7-,8?/m1/s1

InChIKey:
QWOXSTGOGUNUGF-GCJDJSOWSA-N

DeepSMILES:
OC[C@H]CCNC5[C@H]O)CC5

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 2.051

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Chemical structure download