7-Acetoxybonducellpin C , CAS No.197781-86-5

CAS: 197781-86-5 Cat. No.: A1420525 PubChem CID: 10742713

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

7-Acetoxybonducellpin C, a diterpenoid, is a nature product that could be isolated from the seed kernels of Caesalpinia crista. 7-Acetoxybonducellpin C has antimalarial activity.

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(=O)OC1CCC(C2(C1(C3CC4=C(C=CO4)C(C3C(C2)OC(=O)C)C(=O)OC)C)O)(C)C
• IUPAC Name: methyl (1S,4aR,6S,6aR,7S,11aS,11bS)-1,6-diacetyloxy-4a-hydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
• InChIKey: VWWBNOKRESJKKB-QKLQQXTASA-N
• INCHI: 1S/C25H34O8/c1-13(26)32-18-12-25(29)23(3,4)9-7-19(33-14(2)27)24(25,5)16-11-17-15(8-10-31-17)20(21(16)18)22(28)30-6/h8,10,16,18-21,29H,7,9,11-12H2,1-6H3/t16-,18-,19-,20+,21-,24-,25+/m0/s1
• Isomeric SMILES: CC(=O)O[C@H]1CCC([C@]2([C@]1([C@H]3CC4=C(C=CO4)[C@H]([C@@H]3[C@H](C2)OC(=O)C)C(=O)OC)C)O)(C)C
• PubChem CID: 10742713

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Naphthofurans Tricarboxylic acids and derivatives Benzofurans Tertiary alcohols Methyl esters Heteroaromatic compounds Furans Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpenoid - Naphthofuran - Benzofuran - Tricarboxylic acid or derivatives - Cyclic alcohol - Heteroaromatic compound - Furan - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• 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