Summary

IMPPAT Phytochemical identifier: IMPHY001058

Phytochemical name: Lycoflexine

Synonymous chemical names:
lycoflexine

External chemical identifiers:
CID:442486, ChEBI:6593

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Chemical structure information

SMILES:
C[C@@H]1C[C@H]2CC(=O)[C@]34[C@]2(C(=O)C1)CCCN(C4)CCC3

InChI:
InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13+,16+,17-/m1/s1

InChIKey:
SJIMDGIDDDGXLI-OSRSDYAFSA-N

DeepSMILES:
C[C@@H]C[C@H]CC=O)[C@@][C@]5C=O)C9))CCCNC7)CCC9

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC(=O)C23CCCN2CCCC13C2

Scaffold Graph/Node level:
OC1CC2CCCC(O)C23CCCN2CCCC13C2

Scaffold Graph level:
CC1CC2CCCC(C)C23CCCC2CCCC13C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azaspirodecane derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.165

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Chemical structure download