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Strictosamide - ≥98%, high purity , CAS No.23141-25-5
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
Hexoses O-glycosyl compounds 3-alkylindoles Piperidinones Delta lactams Benzenoids Oxanes Vinylogous esters Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary alcohols Acetals Azacyclic compounds Polyols Oxacyclic compounds Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 3-alkylindole - Indole - Delta-lactam - Piperidinone - Monosaccharide - Oxane - Piperidine - Benzenoid - Vinylogous ester - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary alcohol - Carboxamide group - Lactam - Polyol - Acetal - Azacycle - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Indole 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
IUPAC Name
(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
INCHI
InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1
InChIKey
LBRPLJCNRZUXLS-IUNANRIWSA-N
Smiles
C=CC1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C6=CC=CC=C6N4
Isomeric SMILES
C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4
Alternate CAS
23141-25-5
PubChem CID
10345799
MeSH Entry Terms
strictosamide
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
498.500 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
498.2 Da
Monoisotopic Mass
498.2 Da
Topological Polar Surface Area
145.000 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
899.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
9
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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