Aureothin (CAS 2825-00-5): price, suppliers and safety

What is Aureothin?

Plain description, key identifiers and synonyms

Aureothin is a C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities. It has a role as an antibacterial agent, an antiparasitic agent, an antineoplastic agent, an antifungal agent, an EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor and a bacterial metabolite. It is a member of 4-pyranones, a ketene acetal, a member of oxolanes, a C-nitro compound and an olefinic compound. It is functionally related to a deoxyaureothin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
CAS number: 2825-00-5
Molecular formula: C₂₂H₂₃NO₆
InChIKey: GQKXCBCSVYJUMI-WACKOAQBSA-N
InChI: InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1
Canonical SMILES: COc1oc(C2CC(=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C
Isomeric SMILES: CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/CO2

Synonyms

2-Methoxy-3,5-dimethyl-6-((2R,4Z)-tetrahydro-4-((2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene)-2-furanyl)-4H-pyran-4-one
2-methoxy-3,5-dimethyl-6-[(2R,4Z)-tetrahydro-4-[(2E)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene]-2-furanyl]-4H-pyran-4-one
2-methoxy-3,5-dimethyl-6-((2R,4Z)-4-((E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene)oxolan-2-yl)pyran-4-one
2-methoxy-3,5-dimethyl-6-(tetrahydro-4-(2-methyl-3-(4-nitrophenyl)-2-propenylidene)-2-fur anyl)-4H-pyran-4-one
2-methoxy-3,5-dimethyl-6-((2R,5Z)-5-((E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene)oxolan-2-yl)pyran-4-one
Mycolutein
2-Methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl]-4H-pyran-4-one
(+)-aureothin
2-methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]tetrahydrofuran-2-yl]pyran-4-one
2-methoxy-3,5-dimethyl-6-{(2R,4Z)-4-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran-2-yl}-4H-pyran-4-one
HQW

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	397.43 g/molcalc.
Exact mass	397.1525 Dacalc.
LogP (octanol/water)	4.66calc.
Topological polar surface area	91.81 Å²calc.
Hydrogen bond donors	0calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	5calc.
Heavy atoms	29calc.
Rings	3calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.32calc.
Formal charge	0calc.
Stereocentres	1calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=c1ccoc(C2CC(=CC=Cc3ccccc3)CO2)c1

3 rings, 21 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Aureothin suppliers

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Sinco Pharmachem (ShenZhen) R&D Co., Ltd.
China, ShenzhenUnclaimed profile
AureothinGrade, purity and minimum order on request
Price on request
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Where suppliers are based

1 supplier in 1 country

China1

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Aureothin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

antibacterial agent
antifungal agent
antiinfective agent
antimicrobial agent
antineoplastic agent
antiparasitic agent
bacterial metabolite
electron-transport chain inhibitor
enzyme inhibitor
metabolite
pathway inhibitor
pharmaceutical
prokaryotic metabolite
respiratory-chain inhibitor

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Aureothin is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024

$2.62B

−6.4% vs 2023, imports $2.56B

2019 to 2024

Top exporters

Germany57.9%
Italy11.5%
China10.4%

Top importers

Greece40.4%
Japan16.3%
Germany12.8%

Reported customs values in USD, not prices.Full trade data

The HS code shown for Aureothin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

2-Methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one chemical structure, C22H23NO6, CAS 945390-93-2

2-Methoxy-3,5-dimethyl-6-[(2R,4Z)-4-[(Z)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one945390-93-2C₂₂H₂₃NO₆

2-Methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one chemical structure, C22H23NO6, CAS 846571-47-9

2-Methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one846571-47-9C₂₂H₂₃NO₆

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

2-Methoxy-3,5-dimethyl-6-[4-[2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one chemical structure, C28H31NO6

2-Methoxy-3,5-dimethyl-6-((2R,4Z)-tetrahydro-4-((2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrien-1-ylidene)-2-furanyl)-4H-pyran-4-one chemical structure, C28H31NO6, CAS 59795-94-7

4H-Pyran-4-one, 2-methoxy-3,5-dimethyl-6-(tetrahydro-4-(2,4,6-trimethyl-7-(4-nitrophenyl)-2,4,6-heptatrienylidene)-2-furanyl)-, (+)- chemical structure, C28H31NO6

Neoaureothin chemical structure, C28H31NO6, CAS 28900-27-8

90% similar

Neoaureothin28900-27-8C₂₈H₃₁NO₆

N-Acetylaureothamine chemical structure, C24H27NO5, CAS 247109-06-4

Same formula isomers

Different compounds that share this molecular formula

All isomers

7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one chemical structure, C22H23NO6, CAS 845799-01-1

7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one845799-01-1C₂₂H₂₃NO₆1 supplier

(2,5-Dimethoxy-phenyl)-(5-hydroxy-4-morpholin-4-ylmethyl-benzofuran-3-yl)-methanone chemical structure, C22H23NO6, CAS 330556-89-3

(2,5-Dimethoxy-phenyl)-(5-hydroxy-4-morpholin-4-ylmethyl-benzofuran-3-yl)-methanone330556-89-3C₂₂H₂₃NO₆

7-Hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one chemical structure, C22H23NO6, CAS 845901-43-1

7-Hydroxy-3-(3-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one845901-43-1C₂₂H₂₃NO₆1 supplier

4-[5-(Ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid chemical structure, C22H23NO6, CAS 438486-03-4

4-[5-(Ethoxycarbonyl)-6-methyl-2H-furo[3',2':3,4]naphtho[2,1-e][1,3]oxazin-3(4H)-yl]butanoic acid438486-03-4C₂₂H₂₃NO₆

2-Methoxyethyl 5-((2-methoxybenzoyl)oxy)-1,2-dimethyl-1H-indole-3-carboxylate chemical structure, C22H23NO6, CAS 896809-58-8

2-Methoxyethyl 5-((2-methoxybenzoyl)oxy)-1,2-dimethyl-1H-indole-3-carboxylate896809-58-8C₂₂H₂₃NO₆

2-(4-Methoxyphenyl)-2-oxoethyl 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate chemical structure, C22H23NO6, CAS 876714-78-2

2-(4-Methoxyphenyl)-2-oxoethyl 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate876714-78-2C₂₂H₂₃NO₆

4-{[(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}butanoic acid chemical structure, C22H23NO6, CAS 858764-58-6

4-{[(4-Methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}butanoic acid858764-58-6C₂₂H₂₃NO₆

7-Hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one chemical structure, C22H23NO6, CAS 844858-92-0

7-Hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one844858-92-0C₂₂H₂₃NO₆

BE-54238A chemical structure, C22H23NO6, CAS 205433-26-7

BE-54238A205433-26-7C₂₂H₂₃NO₆

Dimethyl 4-(5-(4-methoxyphenyl)-2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C22H23NO6, CAS 117210-76-1

Dimethyl 4-(5-(4-methoxyphenyl)-2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate117210-76-1C₂₂H₂₃NO₆

1,2-Diisopropyl 3-methyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate chemical structure, C22H23NO6, CAS 853319-30-9

1,2-Diisopropyl 3-methyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate853319-30-9C₂₂H₂₃NO₆

Bractavine chemical structure, C22H23NO6, CAS 23943-90-0

Bractavine23943-90-0C₂₂H₂₃NO₆

Frequently asked questions

Quick answers about Aureothin, based on the data on this page

What is Aureothin?

Aureothin is a C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5.

What is the CAS number of Aureothin?

The CAS registry number of Aureothin is 2825-00-5.

What is the molecular formula and weight of Aureothin?

The molecular formula of Aureothin is C22H23NO6 and its molar mass is 397.43 g/mol.

What is Aureothin used for?

Known uses and roles of Aureothin include antibacterial agent, antifungal agent, antiinfective agent, antimicrobial agent, antineoplastic agent and 9 more.

Is Aureothin hazardous?

No GHS hazard classification for Aureothin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Aureothin?

Aureothin is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aureothin?

CompoundList lists 1 supplier of Aureothin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Aureothin?

Suppliers quote Aureothin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Aureothin

Aureothin

Key facts

What is Aureothin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Aureothin suppliers

Where suppliers are based

Send one request to many suppliers

Aureothin price

Uses and applications

Roles

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Aureothin?

What is the CAS number of Aureothin?

What is the molecular formula and weight of Aureothin?

What is Aureothin used for?

Is Aureothin hazardous?

What is the HS code of Aureothin?

Where can I buy Aureothin?

What is the price of Aureothin?

Guides for buyers

Get quotes for Aureothin

Key facts

What is Aureothin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Aureothin suppliers

Where suppliers are based

Send one request to many suppliers

Aureothin price

Uses and applications

Roles

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Aureothin?

What is the CAS number of Aureothin?

What is the molecular formula and weight of Aureothin?

What is Aureothin used for?

Is Aureothin hazardous?

What is the HS code of Aureothin?

Where can I buy Aureothin?

What is the price of Aureothin?

Guides for buyers

Get quotes for Aureothin