Summary

IMPPAT Phytochemical identifier: IMPHY005308

Phytochemical name: 6-Vinyl-7-methoxy-2,2-dimethylchromene

Synonymous chemical names:
6-vinyl-7-methoxy-2,2-dimethylchromene

External chemical identifiers:
CID:188454, SureChEMBL:SCHEMBL15477922

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Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2cc1C=C

InChI:
InChI=1S/C14H16O2/c1-5-10-8-11-6-7-14(2,3)16-13(11)9-12(10)15-4/h5-9H,1H2,2-4H3

InChIKey:
RRUFTPKJXNXMAE-UHFFFAOYSA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10C=C

Functional groups:
cC=C, 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: 2.122

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Chemical structure download