Summary

IMPPAT Phytochemical identifier: IMPHY014808

Phytochemical name: alpha-Dihydrorosefuran

Synonymous chemical names:
alpha-dihydrorosefuran

External chemical identifiers:
CID:101600447, ZINC:ZINC000013462987

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Chemical structure information

SMILES:
CC(=CC[C@@H]1OCC=C1C)C

InChI:
InChI=1S/C10H16O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m0/s1

InChIKey:
OBWLQYFNTCZMSR-JTQLQIEISA-N

DeepSMILES:
CC=CC[C@@H]OCC=C5C))))))))C

Functional groups:
CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCOC1

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: Dihydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.859

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Chemical structure download