Summary

IMPPAT Phytochemical identifier: IMPHY001551

Phytochemical name: Glycosolone

Synonymous chemical names:
glycosolone

External chemical identifiers:
CID:155059, ZINC:ZINC000005158927, MolPort-039-142-007

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Chemical structure information

SMILES:
COc1c(CC=C(C)C)c(=O)n(c2c1cccc2O)C

InChI:
InChI=1S/C16H19NO3/c1-10(2)8-9-12-15(20-4)11-6-5-7-13(18)14(11)17(3)16(12)19/h5-8,18H,9H2,1-4H3

InChIKey:
KBMGLVFFJUCSBR-UHFFFAOYSA-N

DeepSMILES:
COccCC=CC)C))))c=O)ncc6cccc6O)))))))C

Functional groups:
CC=C(C)C, c=O, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2[nH]1

Scaffold Graph/Node level:
OC1CCC2CCCCC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 1.648

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Chemical structure download