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Strigolactone analog - 98%, high purity , CAS No.76974-79-3
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Strigolactones
Alternative Parents
Indanes Gamma butyrolactones Dicarboxylic acids and derivatives Butenolides Vinylogous esters Oxolanes Enoate esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Strigolactone - Indane - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Dihydrofuran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as strigolactones. These are terpene lactones structurally characterized by the presence of an indeno[1,2-b]furan and a 2,5-dihydrofuran-2-one linked together to form a 3-methyl-5-{8-methyl-2-oxo-indeno[1,2-b]furan-3-ylidene]methoxy}-2,5-dihydrofuran-2-one skeleton.
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
(3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
INCHI
InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1
InChIKey
XHSDUVBUZOUAOQ-WJQMYRPNSA-N
Smiles
CC1=CC(OC1=O)OC=C2C3CC4=CC=CC=C4C3OC2=O
Isomeric SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=CC=CC=C4[C@H]3OC2=O
PubChem CID
11358436
Molecular Weight
298.29
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
298.290 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
298.084 Da
Monoisotopic Mass
298.084 Da
Topological Polar Surface Area
61.800 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
576.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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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