Summary

IMPPAT Phytochemical identifier: IMPHY001428

Phytochemical name: Plucheachromenone

Synonymous chemical names:
plucheachromenone

External chemical identifiers:
CID:15379485, ZINC:ZINC000013306417

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Chemical structure information

SMILES:
CC(=O)c1ccc2c(c1O)OC(C=C2)(C)C

InChI:
InChI=1S/C13H14O3/c1-8(14)10-5-4-9-6-7-13(2,3)16-12(9)11(10)15/h4-7,15H,1-3H3

InChIKey:
VNFUBWGCLFVKCB-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6O))OCC=C6))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP-Likeness score: 2.036

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Chemical structure download