Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002169

Phytochemical name: Furan, 3-methyl-2-(3-methyl-2-butenyl)-

Synonymous chemical names:
rosefuran, Furan, 3-methyl-2-(3-methyl-2-butenyl)-, Rosefuran

External chemical identifiers:
CID:CID_84825, FDASRS:PNC9VDU98G, SureChEMBL:SCHEMBL3503787

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Chemical structure information

SMILES:
CC(=CCc1occc1C)C

InChI:
InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3

InChIKey:
UTSGPHXOHJSDBC-UHFFFAOYSA-N

DeepSMILES:
CC=CCcoccc5C))))))))C

Functional groups:
CC=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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.925

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Chemical structure download