Strictosidinic acid , CAS No.150148-81-5

CAS: 150148-81-5 Cat. No.: S1275045 PubChem CID: 21586927

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Storage

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.

Names and Identifiers

• Canonical Smiles: C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC3C4=C(CCN3)C5=CC=CC=C5N4
• IUPAC Name: (2S,3R,4S)-3-ethenyl-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
• InChIKey: CMMIVMFGFIBAGC-IUNANRIWSA-N
• INCHI: 1S/C26H32N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-6,11-12,15,18-19,21-23,25-32H,1,7-10H2,(H,33,34)/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1
• Isomeric SMILES: C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)C[C@H]3C4=C(CCN3)C5=CC=CC=C5N4
• Alternate CAS: 150148-81-5
• PubChem CID: 21586927
• MeSH Entry Terms: strictosidinic acid

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene glycosides
• Alternative Parents: Harmala alkaloids Beta carbolines O-glycosyl compounds 3-alkylindoles Aromatic monoterpenoids Iridoids and derivatives Aralkylamines Sugar acids and derivatives Oxanes Benzenoids Monosaccharides Pyrroles Vinylogous esters Heteroaromatic compounds Secondary alcohols Amino acids Polyols Monocarboxylic acids and derivatives Acetals Azacyclic compounds Carboxylic acids Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene glycoside - Harman - Pyridoindole - Beta-carboline - O-glycosyl compound - Secoiridoid-skeleton - Glycosyl compound - Monoterpenoid - Aromatic monoterpenoid - 3-alkylindole - Indole - Indole or derivatives - Alkaloid or derivatives - Aralkylamine - Sugar acid - Oxane - Monosaccharide - Benzenoid - Pyrrole - Vinylogous ester - Heteroaromatic compound - Secondary alcohol - Amino acid or derivatives - Amino acid - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Polyol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Primary alcohol - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 516.500 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 516.211 Da
• Monoisotopic Mass: 516.211 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 871.000
• 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