Summary

IMPPAT Phytochemical identifier: IMPHY000605

Phytochemical name: (+)-Dihydrocuscohygrine

Synonymous chemical names:
(-)-dihydrocuscohygrine

External chemical identifiers:
CID:10889619, ZINC:ZINC000096030765

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Chemical structure information

SMILES:
OC(C[C@H]1CCCN1C)C[C@H]1CCCN1C

InChI:
InChI=1S/C13H26N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-13,16H,3-10H2,1-2H3/t11-,12-/m1/s1

InChIKey:
UOJNOOLFFFFKNA-VXGBXAGGSA-N

DeepSMILES:
OCC[C@H]CCCN5C)))))))C[C@H]CCCN5C

Functional groups:
CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNC(CCCC2CCCN2)C1

Scaffold Graph/Node level:
C1CNC(CCCC2CCCN2)C1

Scaffold Graph level:
C1CCC(CCCC2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: N-alkylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Pseudoalkaloids, Ornithine alkaloids

NP Classifier Class: Acetate-derived alkaloids, Piperidine alkaloids, Pyrrolidine alkaloids

NP-Likeness score: 0.357

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Chemical structure download