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Naphthoquinones

Menatetrenone

维生素K2

PHY-NP-15177 · Natural product research catalog

Catalog numberPHY-NP-15177
CAS number863-61-6
Molecular formulaC31H40O2
Molecular weight444.659 g/mol
Chemical classNaphthoquinones
Main reported sourceAgaricus bisporus
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Menatetrenone

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Product information

Menatetrenone is listed in the Naphthoquinones section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione
SMILESCC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChIKeyDKHGMERMDICWDU-GHDNBGIDSA-N
Subclass / scaffoldPrenyl quinone meroterpenoids
PubChem CID5282367

Computed properties

Exact mass (Da)444.3028Predicted LogP8.9179
Predicted TPSA (Ų)34.14H-bond donors0
H-bond acceptors2Rotatable bonds11

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.419
Synthetic accessibility score3.03
QED score0.319
Lipinski rule violations1
NPClassifier pathwayTerpenoids
NPClassifier superclassMeroterpenoids
NPClassifier classPrenyl quinone meroterpenoids
Parent SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
Parent formulaC31H40O2
Parent molecular weight444.659
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAgaricus bisporus

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsAgaricus bisporus; Amorpha fruticosa; Bos taurus; Chenopodium quinoa; Crassostrea virginica; Delphinapterus leucas; Erignathus barbatus; Ictalurus punctatus; Linum usitatissimum; Oncorhynchus mykiss; Oncorhynchus nerka; Oncorhynchus tshawytscha; Panicum miliaceum; Phoca largha; Sorghum bicolor; Sus scrofa
COCONUT organism records16
COCONUT identifierCNP0339173.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.