Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018277

Phytochemical name: Methyl 7-methylcyclopenta[c]pyran-4-carboxylate

Synonymous chemical names:
Methyl 7-methylcyclopenta[c]pyran-4-carboxylate

External chemical identifiers:
CID:CID_605452

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Chemical structure information

SMILES:
COC(=O)c1cocc2-c1ccc2C

InChI:
InChI=1S/C11H10O3/c1-7-3-4-8-9(7)5-14-6-10(8)11(12)13-2/h3-6H,1-2H3

InChIKey:
BIWBVIWBTKFOEV-UHFFFAOYSA-N

DeepSMILES:
COC=O)ccocc-c6ccc5C

Functional groups:
cC(=O)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2ccocc-2c1

Scaffold Graph/Node level:
C1CC2CCOCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 0.076

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Chemical structure download