Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006854

Phytochemical name: 1-p-Menthene-8-thiol

Synonymous chemical names:
p-menthene-8-thiol

External chemical identifiers:
CID:CID_6427135, FDASRS:7AT54D0N8R, SureChEMBL:SCHEMBL114630

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Chemical structure information

SMILES:
CC1=CCC(CC1)C(S)(C)C

InChI:
InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

InChIKey:
ZQPCOAKGRYBBMR-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))CS)C)C

Functional groups:
CS, 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: 1.466

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Chemical structure download