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Naphthoquinones

Npc216413

拉帕醇

PHY-NP-15158 · Natural product research catalog

Catalog numberPHY-NP-15158
CAS number84-79-7
Molecular formulaC15H14O3
Molecular weight242.274 g/mol
Chemical classNaphthoquinones
Main reported sourceHandroanthus impetiginosum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Npc216413

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Product information

Npc216413 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 name4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
SMILESCC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C
InChIKeyCWPGNVFCJOPXFB-UHFFFAOYSA-N
Subclass / scaffoldNaphthoquinones
PubChem CID3884

Computed properties

Exact mass (Da)242.0943Predicted LogP3.0774
Predicted TPSA (Ų)54.37H-bond donors1
H-bond acceptors3Rotatable bonds2

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

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.2
Synthetic accessibility score2.48
QED score0.64
Lipinski rule violations0
NPClassifier pathwayPolyketides
NPClassifier superclassNaphthalenes
NPClassifier classNaphthoquinones
Parent SMILESCC(C)=CCC1=C(O)c2ccccc2C(=O)C1=O
Parent formulaC15H14O3
Parent molecular weight242.274
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceHandroanthus impetiginosum
Reported source familiesBignoniaceae; Fabaceae; Acanthaceae

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

View occurrence records & references
LOTUS / Wikidata speciesHandroanthus impetiginosum[6]; Handroanthus impetiginosus[6]; Tabebuia rosea[6]; Tabebuia impetiginosa[5]; Newbouldia laevis[4]; Tectona grandis[4]; Kigelia africana[3]; Tecomella undulata[3]; Dolichandra unguis-cati[2]; Handroanthus guayacan[2]; Macfadyena unguis-cati[2]; Markhamia stipulata[2]; Tabebuia guayacan[2]; Avicennia germinans[1]; Avicennia officinalis[1]
All reported source familiesBignoniaceae[28]; Fabaceae[5]; Acanthaceae[3]; Malvaceae[2]; Lamiaceae[1]; Celastraceae[1]
Genus / family recordsTabebuia[1]
LOTUS species records40
LOTUS reference records48
COCONUT occurrence recordsAvicennia germinans; Avicennia officinalis; Avicennia schaueriana; Bauhinia guianensis; Catalpa longissima; Catalpa ovata; Cybistax antisyphilitica; Diphysa americana; Diphysa carthagenensis; Diphysa robinioides; Dolichandra unguis-cati; Handroanthus chrysotrichus; Handroanthus guayacan; Handroanthus impetiginosum; Handroanthus impetiginosus; Hibiscus Tiliaceus; Hibiscus tiliaceus; Kigelia africana; Kigelia pinnata; Macfadyena unguis-cati; Magnolia liliflora; Magnolia liliiflora; Markhamia Stipulata; Markhamia lutea; Markhamia platycalyx; Markhamia stipulata; Markhamia tomentosa; Newbouldia laevis; Oroxylum indicum; Phyllarthron comorense
COCONUT organism records47
COCONUT identifierCNP0076389.0

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

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