Summary

IMPPAT Phytochemical identifier: IMPHY007820

Phytochemical name: Curcumene ether

Synonymous chemical names:
curcumene ether

External chemical identifiers:
CID:5316214, SureChEMBL:SCHEMBL15770556

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Chemical structure information

SMILES:
Cc1ccc(cc1)C1(C)CCCC(O1)(C)C

InChI:
InChI=1S/C15H22O/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(2,3)16-15/h6-9H,5,10-11H2,1-4H3

InChIKey:
NKSUFXDOOSPKIX-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6))CC)CCCCO6)C)C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCO2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Toluenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 0.806

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Chemical structure download