Summary

IMPPAT Phytochemical identifier: IMPHY015961

Phytochemical name: 2-(2-Pentenyl)furan

Synonymous chemical names:
trans-2-(2-pentenyl)furan

External chemical identifiers:
CID:5369957, ZINC:ZINC000033843860, SureChEMBL:SCHEMBL5370091

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Chemical structure information

SMILES:
CC/C=C/Cc1ccco1

InChI:
InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h3-5,7-8H,2,6H2,1H3/b4-3+

InChIKey:
KQMWMXVDLIDHGY-ONEGZZNKSA-N

DeepSMILES:
CC/C=C/Ccccco5

Functional groups:
C/C=C/C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: 0.586

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Chemical structure download