Summary

IMPPAT Phytochemical identifier: IMPHY003471

Phytochemical name: 5,8-Epoxydaucane

Synonymous chemical names:
5,8-epoxydaucane

External chemical identifiers:
CID:323964

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Chemical structure information

SMILES:
CC(C1CCC2(C31CCC(O3)(C)CC2)C)C

InChI:
InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3

InChIKey:
WABYSPBNXHXFIQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5CCCO5)C)CC7))))))C)))))C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2(C1)O3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)O3

Scaffold Graph level:
C1CC2CCC3CCC2(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Daucane sesquiterpenoids

NP-Likeness score: 2.873

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Chemical structure download