Summary

IMPPAT Phytochemical identifier: IMPHY015777

Phytochemical name: Juniper cedrol

Synonymous chemical names:
juniper cedrol, juniper cedrol b

External chemical identifiers:
CID:91750096

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Chemical structure information

SMILES:
C[C@@H]1CCC2[C@]31CC[C@@H]([C@](C3)(C)O)C2(C)C

InChI:
InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)11-7-8-15(10,12)9-14(11,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12?,14-,15-/m1/s1

InChIKey:
NCTNPEDWZJKLLV-CNJGIHLQSA-N

DeepSMILES:
C[C@@H]CCC[C@@]5CC[C@@H][C@]C6)C)O))C6C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2(C1)CC3

Scaffold Graph/Node level:
C1CC2CC3CCC2(C1)CC3

Scaffold Graph level:
C1CC2CC3CCC2(C1)CC3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.984

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Chemical structure download