Pongamol - ≥98% , CAS No.484-33-3

CAS: 484-33-3 Cat. No.: P404957 분자식: C₁₈H₁₄O₄ 분자량: 294.31 EC 번호: 414-540-3 PubChem CID: 689051

GRADE & PURITY ≥98%

Synonyms

AKOS028111592 | EC 414-540-3 | A1-00787 | HY-121811 | 8Y19QCY6I4 | Lanceolatin C | PONGAMOL [INCI] | Pongamol | 1-(4-Methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione | 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione | DTXSID50351019 | 1-(4-metho

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

Maximum Absorption Wavelength:350(EtOH)nm

Specifications

동의어

AKOS028111592 | EC 414-540-3 | A1-00787 | HY-121811 | 8Y19QCY6I4 | Lanceolatin C | PONGAMOL [INCI] | Pongamol | 1-(4-Methoxy-benzofuran-5-yl)-3-phenyl-propane-1,3-dione | 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1,3-dione | DTXSID50351019 | 1-(4-metho

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488191140
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191140
• 정식 스마일: COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
• IUPAC Name: 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
• InChIKey: XTLSKKJNOIMMBK-UHFFFAOYSA-N
• INCHI: 1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
• 이성체 SMILES: COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
• RTECS: TZ1955000
• PubChem CID: 689051
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 294.31
• Reaxy-Rn: 26565

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retro-dihydrochalcones
• Alternative Parents: Alkyl-phenylketones Butyrophenones Benzofurans Benzoyl derivatives Aryl alkyl ketones Anisoles Beta-diketones Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzofuran - Anisole - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1,3-diketone - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Furan - Heteroaromatic compound - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• External Descriptors: Chalcones and dihydrochalcones

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

관련 대상(인간)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light Sensitive
• 녹는점(°C): 128 °C
• 분자량: 294.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 294.089 Da
• Monoisotopic Mass: 294.089 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 413.000
• 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