Summary

IMPPAT Phytochemical identifier: IMPHY012626

Phytochemical name: Dihydro-beta-ionol

Synonymous chemical names:
dihydro-beta-ionol, dihydro-β-ionol

External chemical identifiers:
CID:579336, FDASRS:S3T0WG30TW, SureChEMBL:SCHEMBL891527

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Chemical structure information

SMILES:
CC(CCC1=C(C)CCCC1(C)C)O

InChI:
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3

InChIKey:
VSYLEWGIVLSDIY-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC)CCCC6C)C)))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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-)

NP-Likeness score: 2.06

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Chemical structure download