07V

(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

Created:	2011-10-07
Last modified:	2020-06-05

Find Related PDB Entry
4 entries where 07V is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of 07V

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
Synonyms	R-carvone
Systematic Name (OpenEye OEToolkits)	(5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one
Formula	C₁₀ H₁₄ O
Molecular Weight	150.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(=CCC(C(=C)\C)C1)C
SMILES	CACTVS	3.370	CC(=C)[CH]1CC=C(C)C(=O)C1
SMILES	OpenEye OEToolkits	1.7.6	CC1=CCC(CC1=O)C(=C)C
Canonical SMILES	CACTVS	3.370	CC(=C)[C@@H]1CC=C(C)C(=O)C1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=CC[C@H](CC1=O)C(=C)C
InChI	InChI	1.03	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
InChIKey	InChI	1.03	ULDHMXUKGWMISQ-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	439570
ChEMBL	CHEMBL2229268
ChEBI	CHEBI:15400
CCDC/CSD	RERXIV, ANIROF
COD	2101879

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.