Corylin - ≥98% , CAS No.53947-92-5

CAS: 53947-92-5 Cat. No.: C418592 분자식: C₂₀H₁₆O₄ 분자량: 320.34

GRADE & PURITY ≥98%

Synonyms

CCG-267706 | AKOS032948696 | MFCD20260784 | BDBM50349976 | SCHEMBL1096083 | 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one | 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one | DTXSID601156014 | A870604 | MS-24730 | Corylin | s929

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

Corylin has antioxidant activity. Corylin may stimulate bone formation or have potential activity against osteoporosis. Corylin shows an inhibitory effect on IL-6-induced STAT3 promoter activity in Hep3B cells.

Corylin is a major bioactive compound isolated from Psoralea corylifolia L; antibiotic or anticancer compound.

Specifications

동의어

CCG-267706 | AKOS032948696 | MFCD20260784 | BDBM50349976 | SCHEMBL1096083 | 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one | 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one | DTXSID601156014 | A870604 | MS-24730 | Corylin | s929

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Corylin is a flavonoid isolated from fruit and seed of medical herb Psoralea corylifolia that extend the replicative lifespan in yeast by targeting the Gtr1 protein. Also, Corylin extends lifespan in mice fed a high-fat diet. Corylin exhibits numerous pha

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

제품 특성

ALogP

3.412

hba_count

3

HBD 수

1

회전 가능한 결합

1

이름과 식별자

Pubchem Sid

488195331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195331

정식 스마일

CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C

IUPAC Name

3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one

InChIKey

PWAACAMQKVIVPZ-UHFFFAOYSA-N

INCHI

1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3

이성체 SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C

분자량

320.34

Reaxy-Rn

1395081

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1395081&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Isoflavonoids
      • Subclass Pyranoisoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Isoflavonoids
• Subclass: Pyranoisoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoisoflavonoids
• Alternative Parents: Isoflavones Hydroxyisoflavonoids 2,2-dimethyl-1-benzopyrans Chromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoisoflavonoid - Isoflavone - Hydroxyisoflavonoid - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton.
• External Descriptors: Isoflavonoids

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(비인간)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Candida albicans (78123 Activities)

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

Mus musculus (284745 Activities)

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

fabI Enoyl-acyl-carrier protein reductase (415 Activities)

Discover Target: fabI

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO: 2 mg/mL, clear
• 감도: light sensitive
• DMSO(mg/mL) 최대 용해도: 64
• DMSO(mM) 최대 용해도: 199.788573741838
• 분자량: 320.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 320.105 Da
• Monoisotopic Mass: 320.105 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 576.000
• 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