Venturicidin A - ≥95% , CAS No.33538-71-5

CAS: 33538-71-5 Cat. No.: V329490 Formula: C₄₁H₆₇NO₁₁ Molecular Weight: 750 EC Number: 251-568-3 PubChem CID: 10055855

GRADE & PURITY ≥95%

Synonyms

AKOS040745412 | 46L30W9XBB | AA-0368 | Aabomycin A1 | Venturidicin A | SCHEMBL2219808 | DTXSID201317371 | [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Venturicidin A, an antibiotic and antifungal compound, has been noted to be a potential inhibitor of|E. coli|H|+|-ATPase. Experiments suggest that this compound strongly inhibits ATP-driven proton transport and ATP hydrolysis. More detailed studies show that Venturicidin A acts on the membrane sector F|0|. Purified bovine F|0|has been reported to cause voltage sensitive K|+|channels. Venturicidin A demonstrates the ability to drastically decrease the open probability of the channel. Venturicidin A is an inhibitor of ATP5.

Specifications

Synonyms

AKOS040745412 | 46L30W9XBB | AA-0368 | Aabomycin A1 | Venturidicin A | SCHEMBL2219808 | DTXSID201317371 | [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-

Specifications & Purity

≥95%

Source

Streptomycessp.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

Canonical Smiles

CCC(=O)C(C)C(C(C)CC(C)C1C(CC(C=CC(CCCC=C(C2C(=CCC(O2)(CC(=O)O1)O)C)C)OC3CC(C(C(O3)C)O)OC(=O)N)C)C)O

IUPAC Name

[(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyloxan-4-yl] carbamate

InChIKey

HHQKNFDAEDTRJK-LIOWZGMGSA-N

INCHI

1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1

Isomeric SMILES

CCC(=O)[C@@H](C)[C@H]([C@H](C)C[C@@H](C)[C@@H]1[C@@H](C[C@H](/C=C/[C@@H](CCC/C=C(/[C@@H]2C(=CC[C@@](O2)(CC(=O)O1)O)C)\C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)OC(=O)N)C)C)O

RTECS

YX4556000

PubChem CID

10055855

Molecular Weight

750

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Diterpenoids Macrolides and analogues Hexoses O-glycosyl compounds Oxanes Pyrans Beta-hydroxy ketones Carbamate esters Carboxylic acid esters Secondary alcohols Hemiacetals Lactones Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Diterpenoid - Macrolide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy ketone - Monosaccharide - Oxane - Pyran - Carbamic acid ester - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Hemiacetal - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aldehyde - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• 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

Associated Targets(Human)

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

K562 (73714 Activities)

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MDA-MB-468 (9477 Activities)

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MV4-11 (7307 Activities)

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Associated Targets(non-human)

B16 (5829 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, methanol, DMF, DMSO, and water (poor).
• x_refractive_index: n20D1.54 (Predicted)
• x_boil_point_char: 874.86° C at 760 mmHg (Predicted)
• Molecular Weight: 750.000 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 749.471 Da
• Monoisotopic Mass: 749.471 Da
• Topological Polar Surface Area: 184.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1