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Silydianin - analytical standard，≥98%, high purity , CAS No.29782-68-1
Basic Description
Synonyms
(+)-2,3.ALPHA.,3A.ALPHA.A,7A-TETRAHYDRO-7A.ALPHA.-HYDROXY-8-(4-HYDROXY-3-METHOXYPHENYL)-4-(3.ALPHA.,5,7-TRIHYDROXY-4-OXO-2.BETA.-CHROMANYL)-3,6-METHANOBENZOFURAN-7(6.ALPHA.H)-ONE | Silidianinum [INN-Latin] | BRD-K52002287-001-01-0 | EINECS 249-848-5 | Sil
Specifications & Purity
analytical standard, ≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavanones
Alternative Parents
Cyclohexylphenols Chromones Methoxyphenols Anisoles Aryl alkyl ketones Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Cyclohexenones Oxepanes Vinylogous acids Tetrahydrofurans Cyclic alcohols and derivatives Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanone - Cyclohexylphenol - Chromone - Methoxyphenol - 1-benzopyran - Benzopyran - Chromane - Phenol ether - Phenoxy compound - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Oxepane - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Cyclic alcohol - Tetrahydrofuran - Hemiacetal - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
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
(1R,3R,6R,7R,10R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
INCHI
InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1
InChIKey
CYGIJEJDYJOUAN-JSGXPVSSSA-N
Smiles
COC1=C(C=CC(=C1)C2C3COC4(C3C(=CC2C4=O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
WGK Germany
3
PubChem CID
11982272
Molecular Weight
482.44
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
482.400 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
3
Exact Mass
482.121 Da
Monoisotopic Mass
482.121 Da
Topological Polar Surface Area
163.000 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
935.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
7
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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A1629011