Summary

IMPPAT Phytochemical identifier: IMPHY002717

Phytochemical name: 6-(1-Ethoxyethyl)-7-methoxy-2,2-dimethyl-2H-1-benzopyran

Synonymous chemical names:
6-(1-ethoxyethyl)-7-methoxy-2,2-dimethylchromene

External chemical identifiers:
CID:14427468

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Chemical structure information

SMILES:
CCOC(c1cc2C=CC(Oc2cc1OC)(C)C)C

InChI:
InChI=1S/C16H22O3/c1-6-18-11(2)13-9-12-7-8-16(3,4)19-14(12)10-15(13)17-5/h7-11H,6H2,1-5H3

InChIKey:
PBLPXDGEZTUWSO-UHFFFAOYSA-N

DeepSMILES:
CCOCcccC=CCOc6cc%10OC))))))C)C)))))))C

Functional groups:
COC, cC=CC, 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 Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.776

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Chemical structure download