Summary

IMPPAT Phytochemical identifier: IMPHY001611

Phytochemical name: Turmeronol A

Synonymous chemical names:
turmeronol a

External chemical identifiers:
CID:15858385, SureChEMBL:SCHEMBL6421262

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Chemical structure information

SMILES:
CC(=CC(=O)CC(c1ccc(c(c1)O)C)C)C

InChI:
InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3

InChIKey:
OSIFVLKZUWRNBN-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCcccccc6)O))C)))))C)))))C

Functional groups:
CC(=O)C=C(C)C, cO

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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: 1.19

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Chemical structure download