Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006880

Phytochemical name: 4-Methyl-beta-methylenecyclohex-3-ene-1-ethanol

Synonymous chemical names:
limonene-10-ol, 1,8-p-menthadien-2-yl-acetate, p-menthα-1,8-dien-9-ol

External chemical identifiers:
CID:CID_527143, ChEBI:CHEBI:171928, SureChEMBL:SCHEMBL1245213

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3

InChIKey:
UIMAEYMKYMNCGW-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCC=CC6))C

Functional groups:
CO, C=C(C)C, 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: Monocyclic monoterpenoids

NP-Likeness score: 2.834

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Chemical structure download