Isocostic acidCAS# 69978-82-1 |
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3D structure
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| Cas No. | 69978-82-1 | SDF | Download SDF |
| PubChem ID | 10922464 | Appearance | Powder |
| Formula | C15H22O2 | M.Wt | 234.3 |
| Type of Compound | Sesquiterpenoids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | 2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid | ||
| SMILES | CC1=C2CC(CCC2(CCC1)C)C(=C)C(=O)O | ||
| Standard InChIKey | SGZOYHLQNUSAIL-IUODEOHRSA-N | ||
| Standard InChI | InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12H,2,4-9H2,1,3H3,(H,16,17)/t12-,15-/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. |
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| 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. |
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| 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. | ||
| Description | 1. Isocostic acid may have antibacterial activity. |
| Targets | Antifection |
Isocostic acid Dilution Calculator
Isocostic acid Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 4.268 mL | 21.3402 mL | 42.6803 mL | 85.3606 mL | 106.7008 mL |
| 5 mM | 0.8536 mL | 4.268 mL | 8.5361 mL | 17.0721 mL | 21.3402 mL |
| 10 mM | 0.4268 mL | 2.134 mL | 4.268 mL | 8.5361 mL | 10.6701 mL |
| 50 mM | 0.0854 mL | 0.4268 mL | 0.8536 mL | 1.7072 mL | 2.134 mL |
| 100 mM | 0.0427 mL | 0.2134 mL | 0.4268 mL | 0.8536 mL | 1.067 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. | |||||
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Isocostic Acid, a Promising Bioactive Agent from the Essential Oil of Inula viscosa (L.): Insights from Drug Likeness Properties, Molecular Docking and SAR Analysis.[Pubmed:30874370]
Chem Biodivers. 2019 Mar 15.
The chemical composition of the essential oil (LEO) and its volatile fractions (V1 -V10 ) collected during the hydrodistillation process every 15 min from the fresh leaves of I. viscosa (L.), growing in Tunisia, were analyzed by GC-FID and GC/MS. Eighty-two compounds, representing 90.9-99.4 % of the total samples, were identified. The crude essential oil (LEO) and its fractions (V1 -V10 ) were characterized by the presence of a high amount of oxygenated sesquiterpenes (82.7-95.8 %). Isocostic acid (1) was found to be the most abundant component (37.4-83.9 %) and was isolated from the same essential oil over silica gel column chromatography and identified by spectroscopic methods ((1) H, (13) C, DEPT 135 NMR and EI-MS) and by comparison with literature data. Furthermore, the fresh leaves essential oil (LEO), its volatile fractions (V1 -V10 ) as well as compound 1 were screened for their antibacterial, antityrosinase, anticholinesterase and anti-5-lipoxygenase activities. It was found that the isolated compound 1 exhibited an interesting antibacterial activity against Staphylococcus aureus ATCC 25923 (MIC=32 mug/mL) and Enterococcus faecalis ATCC 29212 (MIC=32 mug/mL) and the highest antityrosinase activity (IC50 =13.82+/-0.87 mug/mL). Compound 1 was also found to be able to strongly inhibit 5-lipoxygenase with an IC50 value of 59.21+/-0.85 mug/mL. The bioactivity and drug likeness scores of compound 1 were calculated using Molinspiration software and interpreted, and the structure-activity relationship (SAR) was discussed with the help of molecular docking analysis.
3-(4-Chloro-phen-yl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-n aphthalen-2-yl]prop-2-en-1-one.[Pubmed:21754752]
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1358.
The title compound, C(21)H(25)ClO, was semi-synthesized from Isocostic acid, isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The cyclo-hexene ring has a half-chair conformation, whereas the cyclo-hexane ring displays a chair conformation.
1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-phenyl-prop-2-en -1-one.[Pubmed:21754232]
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o969.
The title compound, C(21)H(26)O, was semisynthesized from Isocostic acid, isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The cyclo-hexene ring has a half-chair conformation, whereas the cyclo-hexane ring displays a chair conformation.
3-[4-(Dimethyl-amino)-phen-yl]-1-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naph thalen-2-yl)prop-2-en-1-one.[Pubmed:21522737]
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 24;67(Pt 1):o237.
The title compound, C(23)H(31)NO, was semisynthesized from Isocostic acid, isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The cyclo-hexene ring has a half-chair conformation, whereas the cyclo-hexane ring displays a chair conformation. The dihedral angle between the latter ring and its substituent is 83.6 (7) degrees .
Sesquiterpene compounds from Inula viscosa.[Pubmed:17654288]
Nat Prod Res. 2007 Jul 20;21(9):824-7.
Two new compounds, 2,5-dihydroxyIsocostic acid and 2,3-dihydroxycostic acid together with three known sesquiterpene compounds, Isocostic acid, Carabrone and Tomentosin, have been isolated from the acetone extract of Inula viscosa (L.) Aiton. The structures of all new compounds were determined by spectroscopic methods, in particular 1D and 2D (1)H- and (13)C-NMR. The (13)C-NMR spectra of Isocostic acid and of Tomentosin are reported here for the first time.
