Summary

IMPPAT Phytochemical identifier: IMPHY011148

Phytochemical name: Stachynone

Synonymous chemical names:
stachynone

External chemical identifiers:
CID:14217625

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Chemical structure information

SMILES:
CC(C1CCC(C2=CC(=O)C(CC12)C)C)C

InChI:
InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h8-12,14H,5-7H2,1-4H3

InChIKey:
JXYYAVIQSRGRHK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=CC=O)CCC%106))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 2.141

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Chemical structure download