Summary

IMPPAT Phytochemical identifier: IMPHY017719

Phytochemical name: Hydrate citronellol

Synonymous chemical names:
cytronellol hydrate

External chemical identifiers:
CID:74069754, SureChEMBL:SCHEMBL17688817

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Chemical structure information

SMILES:
OCCC(CCC=C(C)C)C.O

InChI:
InChI=1S/C10H20O.H2O/c1-9(2)5-4-6-10(3)7-8-11;/h5,10-11H,4,6-8H2,1-3H3;1H2

InChIKey:
ZTCSAUQQZDQMKR-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC=CC)C)))))C.O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.295

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Chemical structure download