Summary

IMPPAT Phytochemical identifier: IMPHY003509

Phytochemical name: Anhydrolycorinone

Synonymous chemical names:
anhydrolycorinone

External chemical identifiers:
CID:321920, ChEMBL:CHEMBL481446, ChEBI:31222, ZINC:ZINC000000900985

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Chemical structure information

SMILES:
O=c1c2cc3OCOc3cc2c2c3n1CCc3ccc2

InChI:
InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2

InChIKey:
UJOHABFHKQHIKS-UHFFFAOYSA-N

DeepSMILES:
O=ccccOCOc5cc9ccn%13CCc5ccc9

Functional groups:
c1cOCO1, c=O, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2cc3c(cc2c2cccc4c2n1CC4)OCO3

Scaffold Graph/Node level:
OC1C2CC3OCOC3CC2C2CCCC3CCN1C32

Scaffold Graph level:
CC1C2CC3CCCC3CC2C2CCCC3CCC1C32

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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: Lysine alkaloids, Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Indolizidine alkaloids

NP-Likeness score: 0.134

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Chemical structure download