Summary

IMPPAT Phytochemical identifier: IMPHY002748

Phytochemical name: 7-Methoxy-6-(1-methoxyethyl)-2,2-dimethyl-2H-1-benzopyran

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

External chemical identifiers:
CID:14427467

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Chemical structure information

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

InChI:
InChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3

InChIKey:
KIDINSSIUWCEBX-UHFFFAOYSA-N

DeepSMILES:
COCcccC=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 Classifier Superclass: Meroterpenoids

NP Classifier Class: Merohemiterpenoids

NP-Likeness score: 1.788

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Chemical structure download