Summary

IMPPAT Phytochemical identifier: IMPHY005717

Phytochemical name: Lucidioline

Synonymous chemical names:
lucidioline

External chemical identifiers:
CID:21576177, ZINC:ZINC000095913340

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Chemical structure information

SMILES:
C[C@@H]1C[C@H]2[C@H](O)[C@H]([C@@H]3[C@@]4(C1)C2=CCCN4CCC3)O

InChI:
InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3/t10-,11-,13-,14+,15+,16-/m1/s1

InChIKey:
PGFDCVXTDHLBKG-AJVCXXKOSA-N

DeepSMILES:
C[C@@H]C[C@H][C@H]O)[C@H][C@@H][C@@]C8)C6=CCCN6CCC%10))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC24C(CCCN4CC1)CC3

Scaffold Graph/Node level:
C1CC2CCC3CCCC24C3CCCN4C1

Scaffold Graph level:
C1CC2CCCC3C4CCCC23C(C1)CC4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.485

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Chemical structure download