MQ8

MENAQUINONE 8

Created:	2000-05-18
Last modified:	2021-03-13

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16 entries where MQ8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	125
Chiral Atom Count	0
Bond Count	126
Aromatic Bond Count	6

2D diagram of MQ8

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Chemical Component Summary
Name	MENAQUINONE 8
Synonyms	2-METHYL-3-(3,7,11,15,19,23,27,31-OCTAMETHYL-DOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL)-[1,4]NAPTHOQUINONE
Systematic Name (OpenEye OEToolkits)	2-methyl-3-[(2E,6E,10E,14E,18Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
Formula	C₅₁ H₇₂ O₂
Molecular Weight	717.116
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
SMILES	CACTVS	3.341	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Canonical SMILES	CACTVS	3.341	CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(\C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C
InChI	InChI	1.03	InChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26-,42-28+,43-30+,44-32+,45-36+
InChIKey	InChI	1.03	LXKDFTDVRVLXFY-ACMRXAIVSA-N

Related Resource References

Resource Name	Reference
PubChem	5288843

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