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10,11-Dehydrocurvularin - ≥99.0%, high purity , CAS No.21178-57-4
Antibiotics Disease Research Anticancer Phenols Polyphenols Antibiotics Macrolide Antibiotics
Basic Description
Synonyms
UNII-PAU7YA7FF9 | (10E,15S)-10(11)-Dehydrocurvularin | SCHEMBL23515579 | MLS004257368 | Trans-Dehydrocurvularin | 4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10-(1H)-dione | BDBM50587861 | 2H-3-Benzoxacyclododecin-2,10(1H)-dione
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
10,11-Dehydrocurvularin is a prevalent fungal phytotoxin and an antibiotic . 10,11-Dehydrocurvularin is a strong activator of the heat shock response . 10,11-Dehydrocurvularin inhibits TGF-β signalling pathway. Anti-tumorous activity.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
10,11-Dehydrocurvularin is a prevalent fungal phytotoxin and an antibiotic. 10,11-Dehydrocurvularin is a strong activator of the heat shock response. 10,11-Dehydrocurvularin inhibits TGF-β signalling pathway. Anti-tumorous activity.
Form:Solid
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolides and analogues
Alternative Parents
Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
INCHI
InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1
InChIKey
AVIRMQMUBGNCKS-RWCYGVJQSA-N
Smiles
CC1CCCC=CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
Isomeric SMILES
C[C@H]1CCC/C=C/C(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
Molecular Weight
290.31
Reaxy-Rn
36197036
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36197036&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
290.310 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
290.115 Da
Monoisotopic Mass
290.115 Da
Topological Polar Surface Area
83.800 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
417.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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