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Cephalotaxine - ≥99%, high purity , CAS No.24316-19-6
Basic Description
Synonyms
s3912 | BDBM50482420 | NSC-245454 | CEPHALOTAXINE [WHO-DD] | DTXCID4028206 | NCGC00160146-01 | Cephalotaxine | YMNCVRSYJBNGLD-KURKYZTESA-N | (1S,3aR,14bS)-2-Methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]a
Specifications & Purity
≥99%
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
Alkaloids and derivatives
Class
Cephalotaxus alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cephalotaxus alkaloids
Alternative Parents
Benzazepines Benzodioxoles Azepines Aralkylamines N-alkylpyrrolidines Benzenoids Trialkylamines Secondary alcohols Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalotaxine - Cephalotaxus alkaloid skeleton - Benzazepine - Benzodioxole - Azepine - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Acetal - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalotaxus alkaloids. These are alkaloids with a structure based on the cephalotaxine skeleton, a tetracyclic 1,3-benzodioxole-containing compound which arises from the skeletal rearrangement of the hydroaromatic component of the Erythrina group.
External Descriptors
Isoquinoline alkaloids
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)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504753972
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753972
IUPAC Name
(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
INCHI
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
InChIKey
YMNCVRSYJBNGLD-KURKYZTESA-N
Smiles
COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
Isomeric SMILES
COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
Molecular Weight
315.36
Reaxy-Rn
628320
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=628320&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive,Heat Sensitive
Specific Rotation[α]
-194° (C=1,CHCl3)
Melt Point(°C)
151 °C
Molecular Weight
315.400 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
315.147 Da
Monoisotopic Mass
315.147 Da
Topological Polar Surface Area
51.200 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
523.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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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G2220043