MENAQUINONE 7

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8427BML8NY

Structure
InChI Key RAKQPZMEYJZGPI-LJWNYQGCSA-N
Smile CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
InChI
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H64O2
Molecular Weight 649.02
AlogP 14.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 20.0
Polar Surface Area 34.14
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 48.0

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 2124-57-4
ChEBI 44245
ChEMBL CHEMBL1230575
DrugBank DB13075
FDA SRS 8427BML8NY
PDB MQ7
PubChem 5287554
SureChEMBL SCHEMBL436068
ZINC ZINC000058638423
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