Summary

IMPPAT Phytochemical identifier: IMPHY016865

Phytochemical name: Tetrahydroionol

Synonymous chemical names:
tetrahydroionol

External chemical identifiers:
CID:107272, SureChEMBL:SCHEMBL3504643

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Chemical structure information

SMILES:
CC(CCC1C(C)CCCC1(C)C)O

InChI:
InChI=1S/C13H26O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10-12,14H,5-9H2,1-4H3

InChIKey:
UZWOWEPOVKVMEL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)CCCC6C)C)))))))))O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-), Megastigmanes

NP-Likeness score: 2.663

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Chemical structure download