Summary

IMPPAT Phytochemical identifier: IMPHY007074

Phytochemical name: 4a-Hydroxyskytanthine

Synonymous chemical names:
4-hydroxyskytanthine

External chemical identifiers:
CID:85361059

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Chemical structure information

SMILES:
CN1CC(C)C2(C(C1)C(C)CC2)O

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

InChIKey:
PZZXYDQKZIGACT-UHFFFAOYSA-N

DeepSMILES:
CNCCC)CCC6)CC)CC5))))O

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: 1.974

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Chemical structure download