MedKoo Cat#: 463618 | Name: Gummadiol

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Gummadiol is a natural inhibitor of 3C-like protease (3CLpro), targeting SARS-CoV-2 3CLpro, SARS-CoV 3CLpro and MERS-CoV 3CLpro.

Chemical Structure

Gummadiol
Gummadiol
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463618

Name: Gummadiol

CAS#: unknown

Chemical Formula: C20H18O8

Exact Mass: 386.1002

Molecular Weight: 386.36

Elemental Analysis: C, 62.18; H, 4.70; O, 33.13

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Gummadiol;
IUPAC/Chemical Name
(1R,3R,3aS,6S,6aR)-3,6-bis(benzo[d][1,3]dioxol-5-yl)dihydro-1H,3H-furo[3,4-c]furan-1,3a(4H)-diol
InChi Key
KCQXLVHWDSFFDF-OMQSBVIBSA-N
InChi Code
InChI=1S/C20H18O8/c21-19-16-17(10-1-3-12-14(5-10)26-8-24-12)23-7-20(16,22)18(28-19)11-2-4-13-15(6-11)27-9-25-13/h1-6,16-19,21-22H,7-9H2/t16-,17+,18+,19+,20+/m0/s1
SMILES Code
O[C@@H]1O[C@H](C2=CC=C(OCO3)C3=C2)[C@@]4(O)CO[C@H](C5=CC=C(OCO6)C6=C5)[C@]41[H]
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 386.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Warrier RR, Priya SM, Kalaiselvi R. Gmelinaarborea- An indigenous timber species of India with high medicinal value: A review on its pharmacology, pharmacognosy and phytochemistry. J Ethnopharmacol. 2020 Nov 17:113593. doi: 10.1016/j.jep.2020.113593. Epub ahead of print. PMID: 33217516. 2: Bahadur Gurung A, Ajmal Ali M, Lee J, Abul Farah M, Mashay Al-Anazi K. Structure-based virtual screening of phytochemicals and repurposing of FDA approved antiviral drugs unravels lead molecules as potential inhibitors of coronavirus 3C-like protease enzyme. J King Saud Univ Sci. 2020 Sep;32(6):2845-2853. doi: 10.1016/j.jksus.2020.07.007. Epub 2020 Jul 17. PMID: 32837113; PMCID: PMC7366079.