Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002859

Phytochemical name: cis-Anethole

Synonymous chemical names:
(z)-anethole, cis -anethole, cis-anethole, anethole, cis, cis‐anethole, cis- anethole, z-anethole, (z)•anethole, (Z)-Anethole

External chemical identifiers:
CID:CID_1549040, ChEMBL:CHEMBL1468832, ChEBI:CHEBI:78412, ZINC:ZINC000012358735, FDASRS:78AWK1V4GL, SureChEMBL:SCHEMBL57011

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Chemical structure information

SMILES:
C/C=C\c1ccc(cc1)OC

InChI:
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-

InChIKey:
RUVINXPYWBROJD-ARJAWSKDSA-N

DeepSMILES:
C/C=C\cccccc6))OC

Functional groups:
cOC, c/C=C\C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.354

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Chemical structure download