Summary

IMPPAT Phytochemical identifier: IMPHY010901

Phytochemical name: Tecostanine

Synonymous chemical names:
tecostanine

External chemical identifiers:
CID:120773, ChEBI:9425

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Chemical structure information

SMILES:
OCC1CN(C)CC2C1CCC2C

InChI:
InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3

InChIKey:
CRVXJVHSLVEDRI-UHFFFAOYSA-N

DeepSMILES:
OCCCNC)CCC6CCC5C

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCNCC2C1

Scaffold Graph/Node level:
C1CC2CCNCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 1.905

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Chemical structure download