MNK

(2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one

Created:	2011-02-03
Last modified:	2011-06-04

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1 entries where MNK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	0

2D diagram of MNK

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Chemical Component Summary
Name	(2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one
Systematic Name (OpenEye OEToolkits)	(3S)-7,9-dihydroxy-5-methyl-3-prop-1-en-2-yl-1,2,3,4-tetrahydrobenzo[7]annulen-8-one
Formula	C₁₅ H₁₈ O₃
Molecular Weight	246.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(O)=CC(=C2C(=C1O)CCC(C(=C)\C)C2)C
SMILES	CACTVS	3.370	CC(=C)[CH]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O
SMILES	OpenEye OEToolkits	1.7.0	CC1=C2CC(CCC2=C(C(=O)C(=C1)O)O)C(=C)C
Canonical SMILES	CACTVS	3.370	CC(=C)[C@H]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C
InChI	InChI	1.03	InChI=1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m0/s1
InChIKey	InChI	1.03	XZCVMNQLRNHDOD-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	56669879
ChEMBL	CHEMBL1802031
CCDC/CSD	CAKHAX

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.