Chromone - ≥99% , CAS No.491-38-3

CAS: 491-38-3 Cat. No.: C170570 Peso molecular: 146.14 Número EC: 207-737-9

GRADE & PURITY ≥99%

Synonyms

FT-0632217 | 4-oxo-4H-1-benzopyran | Benzopyrone | 4H-Chromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pyrone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (Beilstein Handbook Reference) | chrome

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0632217 | 4-oxo-4H-1-benzopyran | Benzopyrone | 4H-Chromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pyrone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (Beilstein Handbook Reference) | chrome

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181106
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C=CO2
• IUPAC Name: chromen-4-one
• InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
• INCHI: 1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C=CO2
• WGK Alemania: 3
• RTECS: GB7887000
• Peso molecular: 146.14
• Reaxy-Rn: 114087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• External Descriptors: enone - chromones

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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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HUVEC (11049 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

Objetivos asociados (no humanos)

Helicobacter pylori (3113 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Spodoptera frugiperda (784 Activities)

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RAW264.7 (28094 Activities)

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Man1 Alpha-mannosidase (188 Activities)

Discover Target: Man1

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

FUCA1 Alpha-L-fucosidase 1 (358 Activities)

Discover Target: FUCA1

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

Spodoptera litura (1708 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 55-60 °C (lit.)
• Peso molecular: 146.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.037 Da
• Monoisotopic Mass: 146.037 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 196.000
• 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

Referencias

1. Yongjie Zhang, Xiaopei Li, Wenqin Zhu, Pibo Liu, Juntao Ren, Shangtao Chen, Yanming Hu, Guangyuan Zhou.  (2022)  A multi-functional chromone-modified polyethylene obtained by metal-free C–H activation.  Polymer Chemistry,  13  (10): (1437-1445).  [PMID:] [10.1039/D1PY01604K]

2. Zhou Lei, Qiu Jiaqi, Wang Maolin, Xu Zhenkai, Wang Jiping, Chen Tao.  (2020)  Fabrication of Nanoreactors Based on End-Functionalized Polymethacrylate and Their Catalysis Application.  Journal of Inorganic and Organometallic Polymers and Materials,  30  (11): (4569-4577).  [PMID:] [10.1007/s10904-020-01599-2]

3. Renjie Li, Haizhe Zhang, Weiqi Leng, Zhipeng Liu, Jiangtao Shi.  (2024)  Highly-fluorescent extracts from Pterocarpus wood for Fe3+ ion detection.  TALANTA,      [PMID:38850805] [10.1016/j.talanta.2024.126384]

4. Yuanjie Teng, Pei Xu, Zihang Zhou, Ning Xu, Jiayi Qiu, Yi Zhong, Jie Li, Haimin Shen, Zaifa Pan, Tianyu Hu, Xingchen Zhang, Yantao Lou.  (2025)  Supermolecule-engineered nanogap hotspots: Ultra-selective and sensitive SERS detection and intracellular imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170021]