Summary

IMPPAT Phytochemical identifier: IMPHY013825

Phytochemical name: Lycoricidine

Synonymous chemical names:
7-deoxynarciclasine

External chemical identifiers:
CID:73065, ChEMBL:CHEMBL487798, ChEBI:6600, SureChEMBL:SCHEMBL13271851

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Chemical structure information

SMILES:
O[C@H]1C=C2[C@H]([C@@H]([C@@H]1O)O)NC(=O)c1c2cc2OCOc2c1

InChI:
InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1

InChIKey:
YYDLFVZOIDOGSO-KKBFJBPOSA-N

DeepSMILES:
O[C@H]C=C[C@H][C@@H][C@@H]6O))O))NC=O)cc6ccOCOc5c9

Functional groups:
CO, c1cOCO1, cC(=O)NC, cC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC2CCCC=C2c2cc3c(cc21)OCO3

Scaffold Graph/Node level:
OC1NC2CCCCC2C2CC3OCOC3CC12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 1.663

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Chemical structure download