Summary

IMPPAT Phytochemical identifier: IMPHY012381

Phytochemical name: ar-Turmerone

Synonymous chemical names:
ar- turmerone, ar-tumerone, ar-turmerone

External chemical identifiers:
CID:160512, ChEMBL:CHEMBL1668333, ChEBI:70159, ZINC:ZINC000006071066, FDASRS:1944T899NO, SureChEMBL:SCHEMBL376916, MolPort-005-938-586

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Chemical structure information

SMILES:
CC(=CC(=O)C[C@@H](c1ccc(cc1)C)C)C

InChI:
InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1

InChIKey:
NAAJVHHFAXWBOK-ZDUSSCGKSA-N

DeepSMILES:
CC=CC=O)C[C@@H]cccccc6))C)))))C)))))C

Functional groups:
CC(=O)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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 0.666

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Chemical structure download