Basic information
- CAS
33118-34-2- Standard SMILES
CC1(C)CCC[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12- InChIKey
AZJUJOFIHHNCSV-KCQAQPDRSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Overview
Polygodial is an aldehyde.
Names & identifiers
- Preferred name
- Polygodial
- IUPAC
- (1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
- English name
- POLYGODIAL
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
6754-20-7TadeonalPoligodialDrim-7-ene-11,12-dial(-)-Tadeonal(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde5FAF7T66M7DTXSID9010272141,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-1,2-naphthalenedicarboxaldehydeRefChem:929786DTXCID901511489(1R,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Show more names
POLYGODIALPolygodial (Tadeonal)Polygodial, TRPA1 agonistPolygodial, 10 mM in DMSO(1R,4aS,8aS)-1,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-1,2-naphthalenedicarboxaldehyde1,2-Naphthalenedicarboxaldehyde, 1alpha,4,4aalpha,5,6,7,8,8A-octahydro-5,5,8abata-trimethyl-
Tadeodal(1r,4as,8as)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehydeUNII-5FAF7T66M7A00RAV0W5733118-34-2CHEMBL254550GTPL10293BDBM50318479
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 57 ° · 57° (Barnes, Loder)
- alpha
- 24 · D24 -131° (c = 0.96 in ethanol)
- Boiling point
- 330.7 · 330.7±35.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- RTECS
- 2850000 · QJ2850000
- storage temp.
- -20 °C · -20°C
- solubility
- 20 mg/mL, · DMSO: soluble20mg/mL, clear
- form
- powder
- color
- white to beige
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months.
- InChI
- 1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
- InChIKey
- AZJUJOFIHHNCSV-KCQAQPDRSA-N
- SMILES
- O=C[C@@H]1[C@@]2([C@H](C(CCC2)(C)C)CC=C1C=O)C
- LogP
- 3.522 · 3.522 (est)
- EWG's Food Scores
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 52/53
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Applications
DescriptionPolygodial (6754-20-7) is a TRPA1 activator (EC50=400 nM).1A naturally occurring drimane sesquiterpene dialdehyde found in a variety of plant species including water pepper (Polygonum hydropiper). Polygodial has been used in folk medicine for a variety of indications. Displays analgesic activity via desensitization of sensory neurons.2
UsesPolygodial is a naturally occurring antifungal and antinociceptive.
Suppliers30 total
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
MedBio脉铂医药
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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