Hematoxylin - for microscopy (Hist.), indicator (pH 5.0-6.0) , CAS No.517-28-2

CAS: 517-28-2 Cat. No.: H104306 분자식: C₁₆H₁₄O₆·xH₂O 분자량: 302.28(as Anhydrous) Beilstein Registry Number: 17(2)273 EC 번호: 208-237-3

등급 & 순도 for microscopy (Hist.), indicator (pH 5.0-6.0)

Synonyms

Hematoxylin, for microscopy (Hist.), indicator (pH 5.0-6.0) | NSC 270085 | NCGC00160144-01 | Q1146112 | NCI-C55889 | HSDB 4174 | Natural Black 1 | CHEBI:38384 | Hydroxybrasilin | LMPK12100063 | DTXSID8020678 | WZUVPPKBWHMQCE-XJKSGUPXSA-N | (Z)-2-dodecened

Storage

Room temperature

Shipped In

Normal

사양

동의어

Hematoxylin, for microscopy (Hist.), indicator (pH 5.0-6.0) | NSC 270085 | NCGC00160144-01 | Q1146112 | NCI-C55889 | HSDB 4174 | Natural Black 1 | CHEBI:38384 | Hydroxybrasilin | LMPK12100063 | DTXSID8020678 | WZUVPPKBWHMQCE-XJKSGUPXSA-N | (Z)-2-dodecened

사양 및 순도

for microscopy (Hist.), indicator (pH 5.0-6.0)

보관 조건

Room temperature

배송

Normal

이름과 식별자

Pubchem Sid

508816362

정식 스마일

C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O

IUPAC Name

(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

InChIKey

WZUVPPKBWHMQCE-XJKSGUPXSA-N

INCHI

1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1

이성체 SMILES

C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O

WGK 독일

3

RTECS

MH7875000

분자량

302.28(as Anhydrous)

Beilstein

17(2)273

Reaxy-Rn

91399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=91399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Indanes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Polyols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Indane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Oxacycle - Polyol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• External Descriptors: Neoflavonoids

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)

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VDR Tclin Vitamin D receptor (26531 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

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FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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MET Tclin Hepatocyte growth factor receptor (10718 Activities)

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EPHB2 Tchem Ephrin type-B receptor 2 (1899 Activities)

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MOLT-4 (49676 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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관련 대상(비인간)

Mapk1 MAP kinase ERK2 (650 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Pxn Paxillin (2 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light Sensitive
• 녹는점(°C): 200°C
• 분자량: 302.280 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 302.079 Da
• Monoisotopic Mass: 302.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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