Summary

IMPPAT Phytochemical identifier: IMPHY011027

Phytochemical name: Turmerol

Synonymous chemical names:
turmerol

External chemical identifiers:
CID:20055538, SureChEMBL:SCHEMBL3522574

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Chemical structure information

SMILES:
CC(=CC(CC(C1=CCC(=CC1)C)C)O)C

InChI:
InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13,15-16H,6-7,10H2,1-4H3

InChIKey:
AEQCSQRYHBNSGA-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC=CCC=CC6))C)))))C)))O)))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

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: 2.838

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Chemical structure download