Summary

IMPPAT Phytochemical identifier: IMPHY009414

Phytochemical name: Anethofuran

Synonymous chemical names:
anethofuran

External chemical identifiers:
CID:126537, ChEBI:171949, ZINC:ZINC000006031291, FDASRS:2UX44R1B15, SureChEMBL:SCHEMBL3506212

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)[C@@H](CO2)C

InChI:
InChI=1S/C10H16O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,8-10H,3-4,6H2,1-2H3/t8-,9+,10+/m1/s1

InChIKey:
KBPPPUZMFQKLNP-UTLUCORTSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))[C@@H]CO5))C

Functional groups:
CC(C)=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OCCC2CC1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.789

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Chemical structure download