| |
| Identifiers | |
|---|---|
3D model (
JSmol)
|
|
| ChEMBL | |
| ChemSpider | |
PubChem
CID
|
|
| UNII | |
| |
| |
| Properties | |
| C16H20O5 | |
| Molar mass | 292.331 g·mol−1 |
| Hazards | |
| GHS labelling: | |
| |
| Warning | |
| H302 | |
| P264, P270, P301+P312, P330, P501 | |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
| |
Curvularin is an antimicrobial chemical compound produced by Penicillium and Curvularia. [1]
Characteristics
| Characteristic | Value |
|---|---|
| Number of hydrogen bond acceptors | 5 |
| Number of hydrogen bond donors | 2 |
| Number of rotating bonds | 0 |
| Partition coefficient [2] (ALogP) | 3.0 |
| Solubility [3] (logS, log(mol/L)) | -2.8 |
| Polar surface area [4] (PSA, Å2) | 83.8 |
References
- ^ Savchuk, IaI; Zaĭchenko, AM; Tsyganenko, ES (July 2012). "Biological activity of Penicillium sp. 10-51 exometabolites". Mikrobiolohichnyi Zhurnal. 74 (4): 52–6. PMID 23088100.
- ^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods". The Journal of Physical Chemistry A. 102 (21): 3762–3772. Bibcode: 1998JPCA..102.3762G. doi: 10.1021/jp980230o.
- ^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998-05-01). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods". The Journal of Physical Chemistry A. 102 (21): 3762–3772. Bibcode: 1998JPCA..102.3762G. doi: 10.1021/jp980230o. ISSN 1089-5639.
- ^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (2000-10-01). "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties". Journal of Medicinal Chemistry. 43 (20): 3714–3717. doi: 10.1021/jm000942e. ISSN 0022-2623. PMID 11020286.
External links
|
| |
| Identifiers | |
|---|---|
3D model (
JSmol)
|
|
| ChEMBL | |
| ChemSpider | |
PubChem
CID
|
|
| UNII | |
| |
| |
| Properties | |
| C16H20O5 | |
| Molar mass | 292.331 g·mol−1 |
| Hazards | |
| GHS labelling: | |
|
| |
| Warning | |
| H302 | |
| P264, P270, P301+P312, P330, P501 | |
Except where otherwise noted, data are given for materials in their
standard state (at 25 °C [77 °F], 100 kPa).
| |
Curvularin is an antimicrobial chemical compound produced by Penicillium and Curvularia. [1]
Characteristics
| Characteristic | Value |
|---|---|
| Number of hydrogen bond acceptors | 5 |
| Number of hydrogen bond donors | 2 |
| Number of rotating bonds | 0 |
| Partition coefficient [2] (ALogP) | 3.0 |
| Solubility [3] (logS, log(mol/L)) | -2.8 |
| Polar surface area [4] (PSA, Å2) | 83.8 |
References
- ^ Savchuk, IaI; Zaĭchenko, AM; Tsyganenko, ES (July 2012). "Biological activity of Penicillium sp. 10-51 exometabolites". Mikrobiolohichnyi Zhurnal. 74 (4): 52–6. PMID 23088100.
- ^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods". The Journal of Physical Chemistry A. 102 (21): 3762–3772. Bibcode: 1998JPCA..102.3762G. doi: 10.1021/jp980230o.
- ^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998-05-01). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods". The Journal of Physical Chemistry A. 102 (21): 3762–3772. Bibcode: 1998JPCA..102.3762G. doi: 10.1021/jp980230o. ISSN 1089-5639.
- ^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (2000-10-01). "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties". Journal of Medicinal Chemistry. 43 (20): 3714–3717. doi: 10.1021/jm000942e. ISSN 0022-2623. PMID 11020286.