Cinnamtannin B2CAS# 88038-12-4 |
- Cinnamtannin D2
Catalog No.:BCN0915
CAS No.:97233-47-1
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 88038-12-4 | SDF | Download SDF |
| PubChem ID | 16130973 | Appearance | Powder |
| Formula | C60H48O24 | M.Wt | 1155 |
| Type of Compound | Procyanidins | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | (1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol | ||
| SMILES | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC5=C4C6C(C(O5)(OC7=C(C(=CC(=C67)O)O)C8C(C(OC9=CC(=CC(=C89)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O | ||
| Standard InChIKey | QRQAODSINXAOBF-UKTWWWBFSA-N | ||
| Standard InChI | InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
||
| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
||
| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
Cinnamtannin B2 Dilution Calculator
Cinnamtannin B2 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 0.8658 mL | 4.329 mL | 8.658 mL | 17.316 mL | 21.645 mL |
| 5 mM | 0.1732 mL | 0.8658 mL | 1.7316 mL | 3.4632 mL | 4.329 mL |
| 10 mM | 0.0866 mL | 0.4329 mL | 0.8658 mL | 1.7316 mL | 2.1645 mL |
| 50 mM | 0.0173 mL | 0.0866 mL | 0.1732 mL | 0.3463 mL | 0.4329 mL |
| 100 mM | 0.0087 mL | 0.0433 mL | 0.0866 mL | 0.1732 mL | 0.2165 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
Calcutta University
University of Minnesota
University of Maryland School of Medicine
University of Illinois at Chicago
The Ohio State University
University of Zurich
Harvard University
Colorado State University
Auburn University
Yale University
Worcester Polytechnic Institute
Washington State University
Stanford University
University of Leipzig
Universidade da Beira Interior
The Institute of Cancer Research
Heidelberg University
University of Amsterdam
University of Auckland
TsingHua University
The University of Michigan
Miami University
DRURY University
Jilin University
Fudan University
Wuhan University
Sun Yat-sen University
Universite de Paris
Deemed University
Auckland University
The University of Tokyo
Korea University
- Oenothein B
Catalog No.:BCN0912
CAS No.:104987-36-2
- Cinnamtannin A4
Catalog No.:BCN0911
CAS No.:88847-05-6
- 2-O-Acetylzeylenone
Catalog No.:BCN0910
CAS No.:358748-29-5
- Procyanidin B4 3'-O-gallate
Catalog No.:BCN0909
CAS No.:89064-33-5
- Procyanidin B2 3-O-gallate
Catalog No.:BCN0908
CAS No.:109280-47-9
- Procyanidin B1 3-O-gallate
Catalog No.:BCN0907
CAS No.:79907-45-2
- Leucocyanidin
Catalog No.:BCN0906
CAS No.:69256-15-1
- Peanut procyanidin F
Catalog No.:BCN0905
CAS No.:2095621-25-1
- Peanut procyanidin E
Catalog No.:BCN0904
CAS No.:2095621-10-4
- Peanut procyanidin D
Catalog No.:BCN0903
CAS No.:114637-81-9
- Peanut procyanidin C
Catalog No.:BCN0902
CAS No.:2095621-31-9
- Peanut procyanidin B
Catalog No.:BCN0901
CAS No.:2085301-50-2
- Cinnamtannin D1
Catalog No.:BCN0914
CAS No.:97233-06-2
- Cinnamtannin D2
Catalog No.:BCN0915
CAS No.:97233-47-1
- Cucurbitacin C
Catalog No.:BCN0916
CAS No.:5988-76-1
- Cucurbitacin H
Catalog No.:BCN0917
CAS No.:751-95-1
- Cucurbitacin F
Catalog No.:BCN0918
CAS No.:5939-57-1
- Cucurbitacin L
Catalog No.:BCN0919
CAS No.:1110-02-7
- Cucurbitacin P
Catalog No.:BCN0920
CAS No.:25383-26-0
- Cucurbitacin O
Catalog No.:BCN0921
CAS No.:25383-23-7
- Cucurbitacin K
Catalog No.:BCN0922
CAS No.:6766-43-4
- Cucurbitacin J
Catalog No.:BCN0923
CAS No.:5979-41-9
- 6-hydroxyapigenin-6-O-β-D-glucoside-7-O-β-D-glucuronide
Catalog No.:BCN0924
CAS No.:1146045-40-0
- Cistanoside B
Catalog No.:BCN0925
CAS No.:93236-41-0
In silico screening and molecular dynamics of phytochemicals from Indian cuisine against SARS-CoV-2 M(Pro).[Pubmed:33200680]
J Biomol Struct Dyn. 2022 Apr;40(7):3155-3169.
SARS-CoV-2 cause fatal infection in 213 countries accounting for the death of millions of people globally. In the present study, phytochemicals from spices were assessed for their ability to interact with SARS-CoV-2 M(Pro). Structure based virtual screening was performed with 146 phytochemicals from spices using Autodock Vina. Phytochemicals with binding energy >/= -8.0 kcal/mol were selected to understand their interaction with M(Pro). Virtual screening was further validated by performing molecular docking to generate favorable docked poses and the participation of important amino acid residues. Molecular dynamics simulation for the docked poses was performed to study thermodynamic properties of the protein, ligand and protein-ligand complexes. The finding shows that Cinnamtannin B2 and cyanin showed favorable binding affinity values with SARS-CoV-2 M(Pro). The results are comparable in terms of docked poses, important amino acid participation and thermodynamic properties with the standard control drugs remdesivir, benazepril and hydroxychloroquine diphosphate. Prime MM-GBSA was employed for end-point binding energy calculation. Binding to domain I and II of M(Pro) were mediated through the OH, SH, NH2 and non-polar side chain of amino acids. Cinnamtannin B2 and cyanin binds to M(Pro) with many sub sites within the active site with RMSD and RMSF within 4 A. The results computed using Prime MM-GBSA show that Cinnamtannin B2 (-68.54940214 kcal/mol) and cyanin (-62.1902835 kcal/mol) have better binding affinity in comparison to hydroxychloroquine diphosphate (-54.00912412 kcal/mol) and benazepril (-53.70242369 kcal/mol). The results provide a basis for exploiting Cinnamtannin B2 and cyanin as a starting point potential candidate for the development of drug against SARS-CoV-2.Communicated by Ramaswamy H. Sarma.
