Summary

IMPPAT Phytochemical identifier: IMPHY016559

Phytochemical name: Cedryl propyl ether

Synonymous chemical names:
cedryl propyl ether

External chemical identifiers:
CID:591419

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Chemical structure information

SMILES:
CCCOC1(C)CCC23CC1C(C)(C)C2CCC3C

InChI:
InChI=1S/C18H32O/c1-6-11-19-17(5)9-10-18-12-15(17)16(3,4)14(18)8-7-13(18)2/h13-15H,6-12H2,1-5H3

InChIKey:
TUDJGTBGFVLELQ-UHFFFAOYSA-N

DeepSMILES:
CCCOCC)CCCCC6CC)C)C5CCC8C

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.213

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Chemical structure download