Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002511

Phytochemical name: Cyclohexane, 1-methylene-4-(1-methylethylidene)-

Synonymous chemical names:
p-mentha-1(7),4(8)-diene

External chemical identifiers:
CID:CID_522319, SureChEMBL:SCHEMBL11555837

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Chemical structure information

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

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h3-7H2,1-2H3

InChIKey:
JAFDMBBDFYFVAB-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=C)CC6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC(=C)CC1

Scaffold Graph/Node level:
CC1CCC(C)CC1

Scaffold Graph level:
CC1CCC(C)CC1

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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-Likeness score: 1.822

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Chemical structure download