(±)-Pinostrobin - Moligand™, ≥99% , CAS No.75291-74-6

CAS: 75291-74-6 Cat. No.: P690663 분자식: C₁₆H₁₄O₄ 분자량: 270.28 EC 번호: 694-714-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

5-Hydroxy-7-methoxy-2-phenylchroman-4-one | 5-HYDROXY-7-METHOXYFLAVANONE

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

동의어

5-Hydroxy-7-methoxy-2-phenylchroman-4-one | 5-HYDROXY-7-METHOXYFLAVANONE

사양 및 순도

Moligand™, ≥99%

보관 조건

Store at -20°C,Argon charged,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥99%

이름과 식별자

정식 스마일

COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O

IUPAC Name

5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

InChIKey

ORJDDOBAOGKRJV-UHFFFAOYSA-N

INCHI

1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3

이성체 SMILES

COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O

대체 CAS

75291-74-6,480-37-5

MeSH 용어

5-hydroxy-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one;5-hydroxy-7-methoxyflavanone;pinostrobin

분자량

270.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: Flavanones 5-hydroxyflavonoids Chromones Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-methoxyflavonoid-skeleton - Flavanone - 5-hydroxyflavonoid - Hydroxyflavonoid - Flavan - Chromone - Benzopyran - Chromane - 1-benzopyran - Anisole - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• External Descriptors: a small molecule

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 270.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1