Summary

IMPPAT Phytochemical identifier: IMPHY014516

Phytochemical name: Ledene oxide

Synonymous chemical names:
ledene oxide

External chemical identifiers:
CID:91753473

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Chemical structure information

SMILES:
C[C@H]1CCC23[C@H]1[C@@H]1[C@@H](C1(C)C)CCC3(O2)C

InChI:
InChI=1S/C15H24O/c1-9-5-8-15-11(9)12-10(13(12,2)3)6-7-14(15,4)16-15/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12-,14?,15?/m0/s1

InChIKey:
OZNHATCGPKOFBH-BAPPCMJTSA-N

DeepSMILES:
C[C@H]CCC[C@H]5[C@@H][C@@H]C3C)C))CCC7O8)C

Functional groups:
CC1(C)OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC3CCC3OC32C1

Scaffold Graph/Node level:
C1CC2C3CC3CCC3OC32C1

Scaffold Graph level:
C1CC2C3CC3CCC3CC32C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.036

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Chemical structure download