Summary

IMPPAT Phytochemical identifier: IMPHY012600

Phytochemical name: Diepicedrene-1-oxide

Synonymous chemical names:
dieoicedren-1-oxide, diepicedrene-1-oxide

External chemical identifiers:
CID:534683

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Chemical structure information

SMILES:
CC1C2OC2C23CC1C(C)(C)C2CCC3C

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

InChIKey:
HETWPUJFGKDFMN-UHFFFAOYSA-N

DeepSMILES:
CCCOC3CCC7CC)C)C5CCC8C

Functional groups:
CC1OC1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CC4OC4C2(C1)C3

Scaffold Graph/Node level:
C1CC2CC3CC4OC4C2(C1)C3

Scaffold Graph level:
C1CC2CC3CC4CC4C2(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.933

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Chemical structure download