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Mollugin - 98% (HPLC), high purity , CAS No.55481-88-4

1 Citations

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 55481-88-4
Molecular Weight: 284.31
MDL number: MFCD02752331
PubChem CID: 124219
PubChem SID: 504756963

In stock

Item Number

M170961

Grouped product items
SKU	Size	Availability	Price
M170961-25mg	25mg	3	$59.90
M170961-50mg	50mg	2	$99.90
M170961-100mg	100mg	1	$166.90
M170961-250mg	250mg	1	$282.90

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Basic Description

Synonyms	BS-49147 \| A870182 \| AKOS026750603 \| C17H16O4 \| SCHEMBL2115949 \| CHEBI:141063 \| NCGC00093700-01 \| 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester \| 3'-carbomethoxy-4'-hydroxy-6,6-dimethylnaphtho(1',2'-2,3)pyran \| CCRIS 6432 \| M
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Mollugin displays inhibitory activity in arachidonic acid- and collagen-induced platelet aggregation. Mollugin has been reported to inhibit cancer cell proliferation, and has other biological activities including anti-inflammatory and apoptotic effects.
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Mollugin is a naphthohydroquinone found in the roots of Rubia cordifolia L. that exhibits antimutagenic, antitumor, and antiviral activities.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Naphthopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Naphthopyrans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthopyrans
Alternative Parents	Naphthalenecarboxylic acids 2,2-dimethyl-1-benzopyrans Naphthols and derivatives Salicylic acid and derivatives Alkyl aryl ethers Pyrans Vinylogous acids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthopyran - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 2,2-dimethyl-1-benzopyran - 1-naphthol - Benzopyran - 1-benzopyran - Salicylic acid or derivatives - Naphthalene - Alkyl aryl ether - Benzenoid - Pyran - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SIRT6 Tchem NAD-dependent protein deacetylase sirtuin-6 (671 Activities)

Discover Target: SIRT6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hepatitis B virus (7925 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756963
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756963
IUPAC Name	methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
INCHI	InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
InChIKey	VLGATXOTCNBWIT-UHFFFAOYSA-N
Smiles	CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Isomeric SMILES	CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C
Molecular Weight	284.31
Reaxy-Rn	1433506
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1433506&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
F2225370	Certificate of Analysis	Apr 03, 2025	M170961
H23031141	Certificate of Analysis	Jul 14, 2023	M170961
H23031118	Certificate of Analysis	Jul 14, 2023	M170961
I2406185	Certificate of Analysis	Jul 14, 2023	M170961
G2509017	Certificate of Analysis	Jul 14, 2023	M170961
H23031127	Certificate of Analysis	Jul 14, 2023	M170961
H23031117	Certificate of Analysis	Jul 14, 2023	M170961
H23031125	Certificate of Analysis	Jul 14, 2023	M170961
H23031126	Certificate of Analysis	Jul 14, 2023	M170961
H23031129	Certificate of Analysis	Jul 14, 2023	M170961
H23031121	Certificate of Analysis	Jul 14, 2023	M170961
F2225371	Certificate of Analysis	Jun 05, 2022	M170961
F2225372	Certificate of Analysis	Jun 05, 2022	M170961
F2225369	Certificate of Analysis	Jun 05, 2022	M170961

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Chemical and Physical Properties

Solubility	insoluble in EtOH; insoluble in H2O; ≥14.2 mg/mL in DMSO with ultrasonic
Sensitivity	Heat Sensitive；Air sensitive；Light sensitive
Melt Point(°C)	132 °C
Molecular Weight	284.310 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	284.105 Da
Monoisotopic Mass	284.105 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	442.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Junyan Wang, Minmin Huang, Haihong Hu, Lushan Yu, Su Zeng. (2014) Pregnane X receptor-mediated transcriptional activation of UDP-glucuronosyltransferase 1A1 by natural constituents from foods and herbs. FOOD CHEMISTRY, 164 (74).

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