Summary

IMPPAT Phytochemical identifier: IMPHY015066

Phytochemical name: Selinan

Synonymous chemical names:
selinane

External chemical identifiers:
CID:35524, ChEBI:167374

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Chemical structure information

SMILES:
CC1CCCC2(C1CC(CC2)C(C)C)C

InChI:
InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3

InChIKey:
DYEQPYSFRWUNNV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC6))CC)C)))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids, Isodaucane sesquiterpenoids

NP-Likeness score: 2.399

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Chemical structure download