Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007452

Phytochemical name: Curlone

Synonymous chemical names:
β-turmerone, beta tumerone, curlone, beta-tumerone, beta-turmerone, beta- tumerone, Curlone

External chemical identifiers:
CID:CID_196216, SureChEMBL:SCHEMBL377474

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Chemical structure information

SMILES:
CC(C1CCC(=C)C=C1)CC(=O)C=C(C)C

InChI:
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3

InChIKey:
JIJQKFPGBBEJNF-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)C=C6))))))CC=O)C=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: 3.183

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Chemical structure download