Erianin - 10mM in DMSO , CAS No.95041-90-0

CAS: 95041-90-0 Cat. No.: E427056 분자식: C₁₈H₂₂O₅ 분자량: 318.36

GRADE & PURITY 10mM in DMSO

Synonyms

5-(3,4,5-trimethoxyphenethyl)-2-methoxyphenol | DTXSID40326751 | UXDFUVFNIAJEGM-UHFFFAOYSA-N | NSC-613744 | FT-0608704 | Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]- | 2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol | SCHEMBL1535646 | 3-amino-2-th

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Erianin Erianin, a natural product derived from Dendrobium chrysotoxum, has been used as an analgesic in traditional Chinese medicine and is a potential anti-tumor agent. Erianin can inhibit IDO -induced tumor angiogenesis.

Specifications

동의어

5-(3,4,5-trimethoxyphenethyl)-2-methoxyphenol | DTXSID40326751 | UXDFUVFNIAJEGM-UHFFFAOYSA-N | NSC-613744 | FT-0608704 | Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]- | 2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol | SCHEMBL1535646 | 3-amino-2-th

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Erianin, a natural product derived from Dendrobium chrysotoxum, has been used as an analgesic in traditional Chinese medicine and is a potential anti-tumor agent. Erianin can inhibit IDO-induced tumor angiogenesis.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

제품 특성

• ALogP: 3.953
• hba_count: 4
• HBD 수: 1
• 회전 가능한 결합: 7

이름과 식별자

• Pubchem Sid: 528772361
• 정식 스마일: COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
• IUPAC Name: 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
• InChIKey: UXDFUVFNIAJEGM-UHFFFAOYSA-N
• INCHI: 1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
• 이성체 SMILES: COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
• 분자량: 318.36
• Reaxy-Rn: 4525326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4525326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

관련 대상(인간)

HL-60 (67320 Activities)

Explore this target

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

HT-29 (80576 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

SK-HEP1 (1155 Activities)

Explore this target

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

SK-MEL-5 (47095 Activities)

Explore this target

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

T-24 (2342 Activities)

Explore this target

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

A549 (127892 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

PRKAA2 Tchem AMP-activated protein kinase, AMPK (12273 Activities)

Discover Target: PRKAA2

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

L02 (4864 Activities)

Explore this target

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

관련 대상(비인간)

TUBB2B Tubulin beta chain (424 Activities)

Discover Target: TUBB2B

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

L1210 (27553 Activities)

Explore this target

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

P388 (20296 Activities)

Explore this target

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

srtA Sortase A (641 Activities)

Discover Target: srtA

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 63
• DMSO(mM) 최대 용해도: 197.886521691441
• 분자량: 318.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 318.147 Da
• Monoisotopic Mass: 318.147 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 323.000
• 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

참고 문헌

1. Jiang Qianqian, Fan Guoxia, Wu Kaiwei.  (2024)  Potential Action Mechanism of Erianin in Relieving MNNG-triggered Chronic Atrophic Gastritis.  CELL BIOCHEMISTRY AND BIOPHYSICS,      [PMID:39298066] [10.1007/s12013-024-01536-x]

2. Peishan Huang, Wenhui Deng, Qiong Wu, Wanwan Hong, Jing Liu, Jiangbo Liang, Bin Zhao, Wenjie Mei.  (2025)  Ruthenium(II) complexes synthesized as potential inducers of conformation inversion of AS1411 G4 DNA.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2025.122585]