Summary

IMPPAT Phytochemical identifier: IMPHY017765

Phytochemical name: 3,4-Dihydro-2H-pyran

Synonymous chemical names:
3,4-dihydropyran

External chemical identifiers:
CID:8080, ChEMBL:CHEMBL3184439, ZINC:ZINC000004726938, FDASRS:T6V9N71IHX, SureChEMBL:SCHEMBL9398, MolPort-001-760-505

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Chemical structure information

SMILES:
C1COC=CC1

InChI:
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2

InChIKey:
BUDQDWGNQVEFAC-UHFFFAOYSA-N

DeepSMILES:
CCOC=CC6

Functional groups:
CC=COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COCCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxacyclic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 0.725

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Chemical structure download