6-Hydroxy-4-methylcoumarin - ≥98%(GC) , CAS No.2373-31-1

CAS: 2373-31-1 Cat. No.: H156924 Formula: C₁₀H₈O₃ Peso molecolare: 176.17 Numero EC: 219-146-3

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

DSSTox_CID_7923 | H1005 | H10797 | 8-chlorosulfonylquinoline | SR-01000452777-1 | 6-Hydroxy-4-methyl-2-benzopyrone | A878157 | HY-N6658 | 1-Methyl-6-hydroxy-cumarin | 6-hydroxy-4-methyl-2H-chromen-2-one | EINECS 219-146-3 | S9330 | GN69998000 | J-015196 |

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DSSTox_CID_7923 | H1005 | H10797 | 8-chlorosulfonylquinoline | SR-01000452777-1 | 6-Hydroxy-4-methyl-2-benzopyrone | A878157 | HY-N6658 | 1-Methyl-6-hydroxy-cumarin | 6-hydroxy-4-methyl-2H-chromen-2-one | EINECS 219-146-3 | S9330 | GN69998000 | J-015196 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504754942

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754942

Sorrisi canonici

CC1=CC(=O)OC2=C1C=C(C=C2)O

IUPAC Name

6-hydroxy-4-methylchromen-2-one

InChIKey

IRUHWRSITUYICV-UHFFFAOYSA-N

INCHI

1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3

Isomeri SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)O

Peso molecolare

176.17

Reaxy-Rn

144873

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=144873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycoumarins
• Alternative Parents: 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
• 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

Obiettivi associati (umani)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 248 °C
• Peso molecolare: 176.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.047 Da
• Monoisotopic Mass: 176.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 257.000
• 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