Anthraquinones

1,2-Dihydroxy-3-methylanthraquinone

3-甲基茜草素

PHY-NP-15292 · Natural product research catalog

Catalog number	PHY-NP-15292
CAS number	602-63-1
Molecular formula	C₁₅H₁₀O₄
Molecular weight	254.241 g/mol
Chemical class	Anthraquinones
Main reported source	Cinchona calisaya
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

1,2-Dihydroxy-3-methylanthraquinone is listed in the Anthraquinones 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 name	1,2-dihydroxy-3-methylanthracene-9,10-dione
SMILES	CC1=CC2=C(C(=C1O)O)C(=O)C3=CC=CC=C3C2=O
InChIKey	QPAGCTACMMYJIO-UHFFFAOYSA-N
Subclass / scaffold	Anthraquinones and anthrones
PubChem CID	429241

Computed properties

Exact mass (Da)	254.0579	Predicted LogP	2.1816
Predicted TPSA (Å²)	74.6	H-bond donors	2
H-bond acceptors	4	Rotatable bonds	0

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

View additional properties & classification

Ring count	3
Aromatic rings	2
Fraction Csp³	0.067
Synthetic accessibility score	2.14
QED score	0.603
Lipinski rule violations	0
NPClassifier pathway	Polyketides
NPClassifier superclass	Polycyclic aromatic polyketides
NPClassifier class	Anthraquinones and anthrones
Parent SMILES	Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O
Parent formula	C₁₅H₁₀O₄
Parent molecular weight	254.241
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Cinchona calisaya
Reported source families	Rubiaceae; Plantaginaceae

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

View occurrence records & references

LOTUS / Wikidata species	Cinchona calisaya[3]; Cinchona pubescens[2]; Gynochthodes officinalis[2]; Rubia cordifolia[2]; Digitalis lanata[1]; Galium verum[1]; Ophiorrhiza pumila[1]; Rubia tinctorum[1]; Rubia wallichiana[1]
All reported source families	Rubiaceae[8]; Plantaginaceae[1]
LOTUS species records	9
LOTUS reference records	13
COCONUT occurrence records	Cinchona calisaya; Cinchona pubescens; Digitalis lanata; Galium verum; Gynochthodes officinalis; Morinda officinalis; Ophiorrhiza pumila; Rubia pubescens; Rubia tinctorum; Rubia wallichiana
COCONUT organism records	10
COCONUT identifier	CNP0205288.0

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 / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.