Naphthoquinones

2-Methoxystypandrone

2-甲氧基弯药百合醌

PHY-NP-15107 · Natural product research catalog

Catalog number	PHY-NP-15107
CAS number	85122-21-0
Molecular formula	C₁₄H₁₂O₅
Molecular weight	260.245 g/mol
Chemical class	Naphthoquinones
Main reported source	Berchemia discolor
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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2-Methoxystypandrone 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.

IUPAC name	6-acetyl-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
SMILES	CC1=CC2=C(C(=O)C=C(C2=O)OC)C(=C1C(=O)C)O
InChIKey	SSHJHOVVYKCJJI-UHFFFAOYSA-N
Subclass / scaffold	Naphthoquinones
PubChem CID	158739

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

View additional properties & classification

Ring count	2
Aromatic rings	1
Fraction Csp³	0.214
Synthetic accessibility score	2.62
QED score	0.82
Lipinski rule violations	0
NPClassifier pathway	Polyketides
NPClassifier superclass	Naphthalenes
NPClassifier class	Naphthoquinones
Parent SMILES	COC1=CC(=O)c2c(cc(C)c(C(C)=O)c2O)C1=O
Parent formula	C₁₄H₁₂O₅
Parent molecular weight	260.245
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Berchemia discolor
Reported source families	Rhamnaceae; Polygonaceae; Fabaceae

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

View occurrence records & references

LOTUS / Wikidata species	Berchemia discolor[1]; Fallopia multiflora[1]; Rumex japonicus[1]; Senna didymobotrya[1]; Senna longiracemosa[1]; Ventilago calyculata[1]; Ventilago denticulata[1]
All reported source families	Rhamnaceae[3]; Polygonaceae[2]; Fabaceae[2]
LOTUS species records	7
LOTUS reference records	6
COCONUT occurrence records	Aconitum seravschanicum; Aconitum tasiromontanum; Adansonia grandidieri; Aphyllocladus denticulatus; Aster sedifolius; Bassia muricata; Berchemia discolor; Cassia didymobotrya; Caulocystis cephalornithos; Cytophaga hutchinsoni; Dendriopoterium menendezii; Dictyopteris australis; Dodonaea viscosa; Dysoxylum cumingianum; Enceliopsis argophylla; Epichloe festucae var. lolii; Eria mollis; Eriocheir sinensis; Fallopia multiflora; Flacourtia jangomas; Gadus morhua callarias; Isaria fumosorosea; Justicia secunda; Lavandula vera; Miliusa velutina; Neobalanocarpus heimii; Onobrychis arenaria; Physalis alkekengi; Polygonum Cuspidatum; Polygonum cuspidatum
COCONUT organism records	41
COCONUT identifier	CNP0172084.0

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

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

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