Curvularin

{{Chembox

| ImageFile = Curvularin.svg

| ImageSize = 150px

| ImageAlt =

| IUPACName =

| OtherNames =

|Section1={{Chembox Identifiers

| CASNo = 10140-70-2

| CASNo_Ref = {{Cascite|changed|CAS}}

| ChEMBL = 478770

| PubChem = 119418

| ChemSpiderID = 106658

| UNII = WT39K5T3BX

| SMILES = C[C@H]1CCCCCC(=O)c2c(cc(cc2O)O)CC(=O)O1

| InChI = 1/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1

| InChIKey = VDUIGYAPSXCJFC-JTQLQIEIBB

| StdInChI = 1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1

| StdInChIKey = VDUIGYAPSXCJFC-JTQLQIEISA-N }}

|Section2={{Chembox Properties

| C=16 | H=20 | O=5

| MolarMass =

| Appearance =

| Density =

| MeltingPt =

| BoilingPt =

| Solubility = }}

|Section3={{Chembox Hazards

| GHSPictograms = {{GHS07}}

| GHSSignalWord = Warning

| HPhrases = {{H-phrases|302}}

| PPhrases = {{P-phrases|264|270|301+312|330|501}}

| MainHazards =

| FlashPt =

| AutoignitionPt = }}

}}

Curvularin is an antimicrobial chemical compound produced by Penicillium and Curvularia.{{cite journal |last1=Savchuk |first1=IaI |last2=Zaĭchenko |first2=AM |last3=Tsyganenko |first3=ES |title=Biological activity of Penicillium sp. 10-51 exometabolites |journal=Mikrobiolohichnyi Zhurnal |date=July 2012 |volume=74 |issue=4 |pages=52–6 |pmid=23088100}}

Characteristics

class="wikitable"

!Characteristic

!Value

Number of hydrogen bond acceptors

Number of hydrogen bond donors

Number of rotating bonds

Partition coefficient{{cite journal|doi=10.1021/jp980230o |title=Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods |year=1998 |last1=Ghose |first1=Arup K. |last2=Viswanadhan |first2=Vellarkad N. |last3=Wendoloski |first3=John J. |journal=The Journal of Physical Chemistry A |volume=102 |issue=21 |pages=3762–3772 |bibcode=1998JPCA..102.3762G }} (ALogP)

|3.0

Solubility{{Cite journal |last1=Ghose |first1=Arup K. |last2=Viswanadhan |first2=Vellarkad N. |last3=Wendoloski |first3=John J. |date=1998-05-01 |title=Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods |url=https://pubs.acs.org/doi/10.1021/jp980230o |journal=The Journal of Physical Chemistry A |language=en |volume=102 |issue=21 |pages=3762–3772 |doi=10.1021/jp980230o |bibcode=1998JPCA..102.3762G |issn=1089-5639|url-access=subscription }} (logS, log(mol/L))

| -2.8

Polar surface area{{Cite journal |last1=Ertl |first1=Peter |last2=Rohde |first2=Bernhard |last3=Selzer |first3=Paul |date=2000-10-01 |title=Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties |url=https://pubs.acs.org/doi/10.1021/jm000942e |journal=Journal of Medicinal Chemistry |language=en |volume=43 |issue=20 |pages=3714–3717 |doi=10.1021/jm000942e |pmid=11020286 |issn=0022-2623|url-access=subscription }} (PSA, Å2)

|83.8

References

External links

[https://www.fermentek.com/blog/curvularin-and-dehydrocurvularin-new-promising-drugs-and-agrochemicals Fermentek Curvularin]

Category:Antibiotics

Category:Lactones

Category:Heterocyclic compounds with 2 rings

Category:Resorcinols

Category:Oxygen heterocycles