Summary

IMPPAT Phytochemical identifier: IMPHY012296

Phytochemical name: Oxosparteine

Synonymous chemical names:
oxosparteine, oxysparteine

External chemical identifiers:
CID:97492, SureChEMBL:SCHEMBL11465158

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Chemical structure information

SMILES:
O=C1C2CC(C3N1CCCC3)CN1C2CCCC1

InChI:
InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2

InChIKey:
YQMWQSMYVPLYDI-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCN6CCCC6))))))CNC6CCCC6

Functional groups:
CC(=O)N(C)C, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CC(CN3CCCCC23)C2CCCCN12

Scaffold Graph/Node level:
OC1C2CC(CN3CCCCC23)C2CCCCN12

Scaffold Graph level:
CC1C2CCCCC2C2CC3CCCCC3C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Lupin alkaloids

ClassyFire Subclass: Sparteine, lupanine, and related alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 1.133

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Chemical structure download