Summary

IMPPAT Phytochemical identifier: IMPHY002736

Phytochemical name: Tsibulin 2

Synonymous chemical names:
tsibulin 2

External chemical identifiers:
CID:14391671, SureChEMBL:SCHEMBL2813595

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Chemical structure information

SMILES:
CCCCCCC1CC(=O)CC1=O

InChI:
InChI=1S/C11H18O2/c1-2-3-4-5-6-9-7-10(12)8-11(9)13/h9H,2-8H2,1H3

InChIKey:
XVMHOOYMJFUEQW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)CC5=O

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(=O)C1

Scaffold Graph/Node level:
OC1CCC(O)C1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.451

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Chemical structure download