Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001239

Phytochemical name: D-Limonene

Synonymous chemical names:
d -limonene, Limonene, (+)-, (+)limonene, (+)-limonene, limonene (+), d-limonen, limonene+, limonene, d, limonene, (+), d-limonene, d‐limonene

External chemical identifiers:
CID:CID_440917, ChEMBL:CHEMBL449062, ChEBI:CHEBI:15382, ZINC:ZINC000000967513, FDASRS:GFD7C86Q1W, SureChEMBL:SCHEMBL22013, MolPort-002-507-206

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Chemical structure information

SMILES:
CC1=CC[C@@H](CC1)C(=C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1

InChIKey:
XMGQYMWWDOXHJM-JTQLQIEISA-N

DeepSMILES:
CC=CC[C@@H]CC6))C=C)C

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

Link to spectral information:
MSBNK-MSSJ-MSJ00081, MSBNK-MSSJ-MSJ00080

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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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.359

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Chemical structure download