Herbacetin
Also known as 8-Hydroxykaempferol, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one, Isoarticulatidin
Key facts
What buyers check first
- CAS number
- 527-95-7
- Formula
- C15H10O7
- Molar mass
- 302.24 g/mol
- EC number
- 809-239-2
- HS code
- 293299
- Category
- Flavonoids and polyphenols
What is Herbacetin?
Plain description, key identifiers and synonyms
Herbacetin is a pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has a role as an EC 4.1.1.17 (ornithine decarboxylase) inhibitor, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an antineoplastic agent, an antilipemic drug, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is functionally related to a kaempferol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
- CAS number
- 527-95-7 CAS number cross-checked
- EC number
- 809-239-2
- Molecular formula
- C15H10O7
- UNII
- 736854V2KE
- MDL number
- MFCD00210585
- InChIKey
- ZDOTZEDNGNPOEW-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
- SMILES (canonical and isomeric)
- C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O
Synonyms
- 8-Hydroxykaempferol
- 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
- Isoarticulatidin
- 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
- 3,5,7,8,4'-Pentahydroxyflavone
- Pollenin A
- 3,4',5,7,8-Pentahydroxyflavone
- 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-
- Flavone, 3,4',5,7,8-pentahydroxy-
- Herbacetin (Standard)
- Herbacetin, >=98% (HPLC)
- 3,4',5,7,8-Pentahydroxyflavon
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 | 302.24 g/molcalc.Computed value |
|---|---|
| Exact mass | 302.0427 Dacalc.Computed value |
| LogP (octanol/water) | 1.99calc.Computed value |
| Topological polar surface area | 131.4 Ųcalc.Computed value |
| Hydrogen bond donors | 5calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
O=c1cc(-c2ccccc2)oc2ccccc12
3 rings, 17 atoms, the Flavone ring system.
2,273 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
Precautionary statements (7)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- 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 aidHerbacetin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ChengduUnclaimed profileHerbacetinGrade, purity and minimum order on requestPrice on request
- Price on request
- China, ShanghaiUnclaimed profileHerbacetinGrade, 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
3 suppliers in 1 country
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Herbacetin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- angiogenesis inhibitor
- anti-inflammatory agent
- antilipemic drug
- antineoplastic agent
- apoptosis inducer
- enzyme inhibitor
- eukaryotic metabolite
- metabolite
- pharmaceutical
- plant metabolite
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 Herbacetin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Herbacetin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Herbacetin, based on the data on this page
What is Herbacetin?
What is the CAS number of Herbacetin?
What is the molecular formula and weight of Herbacetin?
What is Herbacetin used for?
Is Herbacetin hazardous?
What is the HS code of Herbacetin?
Where can I buy Herbacetin?
What is the price of Herbacetin?
Guides for buyers
Practical guides that help when you source, ship or handle Herbacetin
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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