Amaranthin
Also known as betanidin 5-O-sophorobiuronic acid, Amarantin, Amaranthin betacyanin
Key facts
What buyers check first
- CAS number
- 15167-84-7
- Formula
- C30H34N2O19
- Molar mass
- 726.60 g/mol
- HS code
- 293890
- Category
- Glycosides and other natural products
What is Amaranthin?
Plain description, key identifiers and synonyms
Amaranthin is a disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(12)-beta-D-glucosyl moiety is attached at position 5. It has a role as a biological pigment and a plant metabolite. It is a member of indoles, a tetrahydropyridine, a disaccharide derivative and an olefinic compound. It is functionally related to a betanidin.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-6-hydroxy-2,3-dihydroindol-1-ium-2-carboxylate
- CAS number
- 15167-84-7 CAS number cross-checked
- Molecular formula
- C30H34N2O19
- InChIKey
- ATSKDYKYMQVTGH-POBNKHOBSA-N
- InChI
- InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1
- Canonical SMILES
- O=C(O)C1=CC(=CC=[N+]2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3CC2C(=O)[O-])CC(C(=O)O)N1
- Isomeric SMILES
- C\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
Synonyms
- betanidin 5-O-sophorobiuronic acid
- Amarantin
- Amaranthin betacyanin
- betanidin 5-O-beta-[1''->2']-glucuronosyl-beta-glucoside
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 | 726.60 g/molcalc.Computed value |
|---|---|
| Exact mass | 726.1756 Dacalc.Computed value |
| LogP (octanol/water) | -5.78calc.Computed value |
| Topological polar surface area | 345.6 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 11calc.Computed value |
| Hydrogen bond acceptors | 17calc.Computed value |
| Rotatable bonds | 10calc.Computed value |
| Heavy atoms | 51calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 12calc.Computed value |
| Lipinski rule of five | Fails (3 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
C1=CC(=CC=[N+]2CCc3cc(OC4OCCCC4OC4CCCCO4)ccc32)CCN1
5 rings, 31 atoms.
2 other chemicals share this scaffoldSafety 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.
Amaranthin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Amaranthin can send you quotes. Your contact details stay private until you accept a quote.
Amaranthin 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
Roles
- biological pigment
- biophysical role
- eukaryotic metabolite
- metabolite
- 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 Amaranthin is traded under.
Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives
- United States22.3%
- India * partner reported7.8%
- Brazil5.5%
* Partner reported figures, a lower bound.
The HS code shown for Amaranthin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Amaranthin, based on the data on this page
What is Amaranthin?
What is the CAS number of Amaranthin?
What is the molecular formula and weight of Amaranthin?
What is Amaranthin used for?
Is Amaranthin hazardous?
What is the HS code of Amaranthin?
Where can I buy Amaranthin?
What is the price of Amaranthin?
Guides for buyers
Practical guides that help when you source, ship or handle Amaranthin
- 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
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Get quotes for Amaranthin
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Amaranthin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/amaranthin-15167-84-7" title="Amaranthin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Glycosides and other natural products or HS code 293890