Summary

IMPPAT Phytochemical identifier: IMPHY011980

Phytochemical name: [(1-Butylnonyl)oxy](isopropyl)dimethylsilane

Synonymous chemical names:
germacren-4-ol, germacrene-4-ol

External chemical identifiers:
CID:6429375

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Chemical structure information

SMILES:
C/C/1=CCC[C@@](C)(O)/C=C/[C@@H](CC1)C(C)C

InChI:
InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+/t14-,15-/m1/s1

InChIKey:
RHCTXHCNRLCYBN-QPDMSNBJSA-N

DeepSMILES:
C/C=CCC[C@@]C)O)/C=C/[C@@H]CC%10))CC)C

Functional groups:
C/C=C(/C)C, C/C=C/C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC=CCCC1

Scaffold Graph/Node level:
C1CCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 3.494

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Chemical structure download