Parthenolide
Also known as (-)-Parthenolide, (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one, (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-en-13-one
Key facts
What buyers check first
- CAS number
- 20554-84-1
- Formula
- C15H20O3
- Molar mass
- 248.32 g/mol
- EC number
- 692-532-0
- HS code
- 293220
- Category
- Analgesics and anti-inflammatories
What is Parthenolide?
Plain description, key identifiers and synonyms
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a germacranolide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
- CAS number
- 20554-84-1 CAS number cross-checkedOther or deprecated CAS: 503551-53-9
- EC number
- 692-532-0
- Molecular formula
- C15H20O3
- INCI name
- PARTHENOLIDE
- InChIKey
- KTEXNACQROZXEV-SLXBATTESA-N
- InChI
- InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
- Canonical SMILES
- C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21
- Isomeric SMILES
- C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Synonyms
- (-)-Parthenolide
- (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
- (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo(9.3.0.02,4)tetradec-7-en-13-one
- (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
- 4,5alpha-Epoxy-6beta-hydroxygermacra-1(10),11(13)-dien-12-oic Acid gamma-Lactone
- ACon1_001961
- (1aR,7aS,10aS,10bS,E)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1aH)-one
- Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bS)-
- Sesquiterpene lactone found in feverfew (Tanacetum parthenium)
- (1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0,2,4]tetradec-7-en-13-one
- Germacra-1(10),11(13)-dien-12-oic acid, 4,5alpha-epoxy-6beta-hydroxy-, gamma-lactone
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 | 248.32 g/molcalc.Computed value |
|---|---|
| Exact mass | 248.1412 Dacalc.Computed value |
| LogP (octanol/water) | 2.76calc.Computed value |
| Topological polar surface area | 38.83 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.67calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H317May cause an allergic skin reaction.
- H341Suspected of causing genetic defects.
Precautionary statements (11)
- P203Obtain, read and follow all safety instructions before use.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P272Contaminated work clothing should not be allowed out of the workplace.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P318If exposed or concerned, get medical advice.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P333 + P317If skin irritation or rash occurs: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidParthenolide suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ChengduUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- China, Chengdu ManufacturerUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- China, Xi'an ManufacturerUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- Price on request
- ThailandUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- China, KunmingUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, Redwood CityUnclaimed profileParthenolideGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
16 suppliers in 4 countries
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Parthenolide 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
Industries and functions
Cosmetic ingredient, INCI name PARTHENOLIDE(skin conditioning)
Roles
- aetiopathogenetic role
- allergen
- analgesic
- anti-inflammatory agent
- anti-inflammatory drug
- antirheumatic drug
- drug allergen
- inhibitor
- non-narcotic analgesic
- non-steroidal anti-inflammatory drug
- peripheral nervous system drug
- pharmaceutical
Functional uses
- Softener and conditioner
Cosmetic functions
- Skin conditioning
Pharmacology
Parthenolide is a Standardized Chemical Allergen. The physiologic effect of parthenolide is by means of Increased Histamine Release and Cell-mediated Immunity.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Parthenolide is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Parthenolide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Parthenolide, based on the data on this page
What is Parthenolide?
What is the CAS number of Parthenolide?
What is the molecular formula and weight of Parthenolide?
What is Parthenolide used for?
Is Parthenolide hazardous?
What is the HS code of Parthenolide?
Where can I buy Parthenolide?
What is the price of Parthenolide?
Guides for buyers
Practical guides that help when you source, ship or handle Parthenolide
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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