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Gomisin K3 - 10mM in DMSO, high purity , CAS No.69363-14-0
Basic Description
Synonyms
Schisanhenol | (+)-Gomisin K3 | 69363-14-0 | Schizanhenol | gomisin K3 | UNII-80Y5907NIW | 80Y5907NIW | NSC 330515 | DTXSID40219452 | NSC330515 | NSC-330515 | Gomisin-K3 | DIBENZO(A,C)CYCLOOCTEN-1-OL, 5,6,7,8-TETRAHYDRO-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)- | Dibe
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Maximum Absorption Wavelength:214(MeOH)nm
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Hydrolyzable tannins
Intermediate Tree Nodes
Not available
Direct Parent
Hydrolyzable tannins
Alternative Parents
Dibenzocyclooctadiene lignans Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
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
(9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
INCHI
InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
InChIKey
FYSHYFPJBONYCQ-QWHCGFSZSA-N
Smiles
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC
Isomeric SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC
Molecular Weight
402.49
Reaxy-Rn
23489599
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23489599&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat Sensitive
Specific Rotation[α]
73° (C=0.5,CHCl3)
Melt Point(°C)
130 °C
Molecular Weight
402.500 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
402.204 Da
Monoisotopic Mass
402.204 Da
Topological Polar Surface Area
66.400 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
516.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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