Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002513

Phytochemical name: p-Menth-1-en-9-ol

Synonymous chemical names:
p-menth-1-en-9-ol, menth-1-en-9-ol (para)

External chemical identifiers:
CID:CID_86753, FDASRS:5F602CF6QF, SureChEMBL:SCHEMBL309591

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Chemical structure information

SMILES:
OCC(C1CCC(=CC1)C)C

InChI:
InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,9-11H,4-7H2,1-2H3

InChIKey:
ZTYHGIAOVUPAAH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC=CC6))C)))))C

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

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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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.546

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Chemical structure download