Deoxylapachol - ≥98% , CAS No.3568-90-9

CAS: 3568-90-9 Cat. No.: D412901 Summenformel: C₁₅H₁₄O₂ Molekulargewicht: 226.27

GRADE & PURITY ≥98%

Synonyms

HY-N3733 | DESOXYLAPACHOL | AKOS032948786 | NSC-123507 | 1,4-Naphthoquinone, 2-(3-methyl-2-butenyl)- | E72228 | 2-Deoxylapachol | DTXSID40189186 | 2-Deoxylapachol;1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)- | MS-23280 | 2-(3-Methylbut-2-en-1-yl)naphthal

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Deoxylapachol Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia with antifungal and anti-cancer activity.

Specifications

Synonyme

HY-N3733 | DESOXYLAPACHOL | AKOS032948786 | NSC-123507 | 1,4-Naphthoquinone, 2-(3-methyl-2-butenyl)- | E72228 | 2-Deoxylapachol | DTXSID40189186 | 2-Deoxylapachol;1,4-Naphthalenedione, 2-(3-methyl-2-butenyl)- | MS-23280 | 2-(3-Methylbut-2-en-1-yl)naphthal

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Deoxylapachol is a major cytotoxic component of New Zealand brown alga, Landsburgia quercifolia with antifungal and anti-cancer activity.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528770405
• Kanonisches Lächeln: CC(=CCC1=CC(=O)C2=CC=CC=C2C1=O)C
• IUPAC Name: 2-(3-methylbut-2-enyl)naphthalene-1,4-dione
• InChIKey: OSDFYZPKJKRCRR-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3
• Isomere SMILES: CC(=CCC1=CC(=O)C2=CC=CC=C2C1=O)C
• Molekulargewicht: 226.27
• Reaxy-Rn: 1370966
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1370966&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin K compounds
• Alternative Parents: Naphthoquinones Quinones Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - Naphthalene - Aryl ketone - Quinone - Benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vitamin k compounds. These are quinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position.
• External Descriptors: alpha-Naphthoquinones

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

Zugehörige Ziele (nicht menschlich)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Human alphaherpesvirus 1 (11089 Activities)

Explore this target

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

Poliovirus 1 (1274 Activities)

Explore this target

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

P388 (20296 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro Ethanol: mg/mL
• Molekulargewicht: 226.270 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.099 Da
• Monoisotopic Mass: 226.099 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 397.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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