Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017444

Phytochemical name: 1(7),4,8-o-Menthatriene

Synonymous chemical names:
1(7),4,8-o-menthatriene

External chemical identifiers:
CID:CID_91751400

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Chemical structure information

SMILES:
CC(=C)C1CC=CCC1=C

InChI:
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-5,10H,1,3,6-7H2,2H3

InChIKey:
MXGWMHHZGBYFII-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCC=CCC6=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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-Likeness score: 2.148

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Chemical structure download