9IR

(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

Created:	2021-10-18
Last modified:	2022-11-23

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2 entries where 9IR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

2D diagram of 9IR

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Chemical Component Summary
Name	(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
Synonyms	R-(+)-limonene
Systematic Name (OpenEye OEToolkits)	(4~{R})-1-methyl-4-prop-1-en-2-yl-cyclohexene
Formula	C₁₀ H₁₆
Molecular Weight	136.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1=CCC(CC1)C(C)=C
SMILES	CACTVS	3.385	CC(=C)[CH]1CCC(=CC1)C
SMILES	OpenEye OEToolkits	2.0.7	CC1=CCC(CC1)C(=C)C
Canonical SMILES	CACTVS	3.385	CC(=C)[C@@H]1CCC(=CC1)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=CC[C@@H](CC1)C(=C)C
InChI	InChI	1.03	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	InChI	1.03	XMGQYMWWDOXHJM-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB08921
Name	(4R)-limonene
Groups	investigational
Description	Limonene is common in cosmetic products. As the main odor constituent of citrus (plant family Rutaceae), D-limonene is used in food manufacturing and some medicines, e.g. as a flavoring to mask the bitter taste of alkaloids, and as a fragrant in perfumery.
Synonyms	(R)-(+)-p-mentha-1,8-diene (R)-1-methyl-4-(1-methylethenyl)cyclohexene (+)-Limonene D-limonene (+)-(R)-Limonene (4R)-4-isopropenyl-1-methylcyclohexene (R)-(+)-limonene (R)-4-isopropenyl-1-methyl-1-cyclohexene (R)-p-mentha-1,8-diene (+)-(4R)-Limonene (4R)-limonene 4βH-p-mentha-1,8-diene D-Limonen (+)-4-isopropenyl-1-methylcyclohexene D-(+)-limonene (4R)-1-methyl-4-isopropenylcyclohex-1-ene
Brand Names	Purifying Balance Soothing Peeling Pad Purifying S.O.S spotgel
Categories	Cyclohexane Monoterpenes Cyclohexanes Cyclohexenes Cycloparaffins Monoterpenes Terpenes
CAS number	5989-27-5

Related Resource References

Resource Name	Reference
PubChem	440917
ChEMBL	CHEMBL449062
ChEBI	CHEBI:15382

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.