Vandrikidine , CAS No.50656-92-3

CAS: 50656-92-3 Cat. No.: V1416380 PubChem CID: 70691524

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Vandrikidine (Vandrikidin) is a Monoterpenoids product that can be isolated from the fruits of Gardenia jasminoides Ellis.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC)O
• IUPAC Name: methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
• InChIKey: ASAFZNAXYPDIJR-MCLJMYSDSA-N
• INCHI: 1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20+,21+,22+/m1/s1
• Isomeric SMILES: C[C@H]([C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC)O
• PubChem CID: 70691524

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Plumeran-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Plumeran-type alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Plumeran-type alkaloids
• Alternative Parents: Carbazoles Indolines Anisoles Aralkylamines Secondary alkylarylamines Alkyl aryl ethers N-alkylpyrrolidines Vinylogous amides Enoate esters 1,3-aminoalcohols Methyl esters Amino acids and derivatives Trialkylamines Secondary alcohols Enamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Plumeran-type alkaloid - Carbazole - Indole or derivatives - Dihydroindole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - N-alkylpyrrolidine - 1,3-aminoalcohol - Vinylogous amide - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Secondary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Enamine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as plumeran-type alkaloids. These are alkaloids with a structure based on the plumeran skeleton. Plumeran is a pentacyclic compound that consists of a pyrrolidine ring shed to the quinoline moiety of pyrido[3,2-c]carbazole ring system.
• 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