Summary

IMPPAT Phytochemical identifier: IMPHY015195

Phytochemical name: 1-Methyladamantane

Synonymous chemical names:
1-methyladamantane

External chemical identifiers:
CID:136607, ChEBI:39004, ZINC:ZINC000053943972, SureChEMBL:SCHEMBL3361, MolPort-006-328-634

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Chemical structure information

SMILES:
CC12CC3CC(C2)CC(C1)C3

InChI:
InChI=1S/C11H18/c1-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3

InChIKey:
UZUCFTVAWGRMTQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)CCC8)C6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 0.294

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Chemical structure download