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Bilobol - ≥95% (LC/MS-UV), high purity , CAS No.22910-86-7
Basic Description
Synonyms
5-(8Z)-8-Pentadecenyl-1,3-benzenediol | 5-[8'(Z)-Pentadecenyl]Resorcinol | 1,3-Benzenediol, 5-(8Z)-8-pentadecenyl- | Resorcinol, 5-(8-pentadecenyl)-, (Z)- | (Z)-5-(Pentadec-8-en-1-yl)benzene-1,3-diol | 5-[(Z)-pentadec-8-enyl]benzene-1,3-diol | CHEBI:3104
Specifications & Purity
≥95%(LC/MS-UV)
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
Natural product derived from plant source.}
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors
5-alkenylresorcinol
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
5-[(Z)-pentadec-8-enyl]benzene-1,3-diol
INCHI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-
InChIKey
TUGAUFMQYWZJAB-FPLPWBNLSA-N
Smiles
CCCCCCC=CCCCCCCCC1=CC(=CC(=C1)O)O
Isomeric SMILES
CCCCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
Molecular Weight
318.49
Reaxy-Rn
15851964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15851964&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: 1mg/mL
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
318.500 g/mol
XLogP3
8.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
13
Exact Mass
318.256 Da
Monoisotopic Mass
318.256 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
278.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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