rankinidine - ≥98% , CAS No.106466-66-4

CAS: 106466-66-4 Cat. No.: R664567 PubChem CID: 6439112

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC=C1CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC
• IUPAC Name: (7Z)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
• InChIKey: ZXRGGMATGWCUBP-KGVSQERTSA-N
• INCHI: 1S/C20H24N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,16,18,21H,8-11H2,1-2H3/b12-3+
• Isomeric SMILES: C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC
• Alternate CAS: 106466-66-4
• PubChem CID: 6439112
• MeSH Entry Terms: rankinidine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Gelsemium alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Gelsemium alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Gelsemium alkaloids
• Alternative Parents: Indoles and derivatives Oxepanes Aralkylamines Piperidines Oxanes Benzenoids Amino acids and derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Gelsemium skeleton - Indole or derivatives - Oxepane - Aralkylamine - Oxane - Piperidine - Benzenoid - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gelsemium alkaloids. These are alkaloids with a structure that is based on the tetracyclic gelsemium skeleton. These alkaloids contain an oxindole function and a cage-like, hydroaromatic residue which is believed to arise from an intermediate related to anhydrovobasinediol by formation of a 6,20 bond and rearrangement to an oxindole. The major alkaloids in this group are related to Gelsemine; however, a smaller group, characterized by Gelsedine, lack the 6,20 bond, and have also lost C-21.
• 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