Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018313

Phytochemical name: 2,6-Dimethyl-3-cyclohexene-1-carbaldehyde

Synonymous chemical names:
2,6-Dimethyl-3-cyclohexene-1-carbaldehyde

External chemical identifiers:
CID:CID_228010

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Chemical structure information

SMILES:
O=CC1C(C)CC=CC1C

InChI:
InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(7)6-10/h3-4,6-9H,5H2,1-2H3

InChIKey:
CJHVOGFYMKIUAW-UHFFFAOYSA-N

DeepSMILES:
O=CCCC)CC=CC6C

Functional groups:
CC=O, CC=CC

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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: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.112

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Chemical structure download