Summary

IMPPAT Phytochemical identifier: IMPHY012323

Phytochemical name: Pseudoconhydrine

Synonymous chemical names:
pseudoconhydrine

External chemical identifiers:
CID:120641, ChEBI:8603, ZINC:ZINC000001615392, FDASRS:90282P2S37

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Chemical structure information

SMILES:
CCC[C@H]1CC[C@@H](CN1)O

InChI:
InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1

InChIKey:
BQSAUYXITCMAKS-YUMQZZPRSA-N

DeepSMILES:
CCC[C@H]CC[C@@H]CN6))O

Functional groups:
CNC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Pseudoalkaloids

NP Classifier Class: Acetate-derived alkaloids, Piperidine alkaloids

NP-Likeness score: 1.907

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Chemical structure download