Rosolic acid - indicator , CAS No.603-45-2

CAS: 603-45-2 Cat. No.: R110705 Peso molecular: 290.31 Número EC: 210-041-8 PubChem CID: 5100

GRADE & PURITY Indicator

Synonyms

BRD-K24453427-001-02-9 | Aurine | NSC 7805 | p-Rosolic acid, JIS special grade | 4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one | CHEBI:34544 | SPBio_000804 | NCGC00095266-01 | p-Rosolic acid | BIDD:ER0176 | HMS3058N04 | 2,5-Cyclohexadien-1-one

Storage

Room temperature

Shipped In

Normal

Descripción general

p-Rosolic acid is a synthetic dye useful as a pH indicator between pH 5.0 - 6.8 with color changes from yellow to pink.
A useful dye and pH indicator between pH 5.0- 6.8

Specifications

Sinónimos

BRD-K24453427-001-02-9 | Aurine | NSC 7805 | p-Rosolic acid, JIS special grade | 4-[bis(4-hydroxyphenyl)methylene]cyclohexa-2, 5-dien-1-one | CHEBI:34544 | SPBio_000804 | NCGC00095266-01 | p-Rosolic acid | BIDD:ER0176 | HMS3058N04 | 2, 5-Cyclohexadien-1-one

Especificaciones y pureza

indicator

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Indicator

Nombres e identificadores

• Pubchem Sid: 488179876
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179876
• Sonrisas canónicas: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
• InChIKey: FYEHYMARPSSOBO-UHFFFAOYSA-N
• INCHI: 1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
• Isómeros SMILES: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• PubChem CID: 5100
• Peso molecular: 290.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: P-quinomethanes 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Quinomethane - P-quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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Plasmodium falciparum (966862 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mitf Microphthalmia-associated transcription factor (11 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 310℃
• Peso molecular: 290.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.094 Da
• Monoisotopic Mass: 290.094 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 457.000
• 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

Referencias

1. Huayun Chen, Zhiheng You, Yuhui Hong, Xiao Wang, Mingming Zhao, Yushi Luan, Yibin Ying, Yixian Wang.  (2023)  Gas-responsive two-dimensional metal–organic framework composites for trace visualization of volatile organic compounds.  BIOSENSORS & BIOELECTRONICS,      [PMID:37984318] [10.1016/j.bios.2023.115826]

2. Runze Zhang, Kexin Liu, Fangran Jia, Tianci Xu, Yongjie Yang.  (2024)  A label-free colorimetric aptasensor for rapid multiplex detection of leuco-malachite green and leuco-crystal violet.  Analytical Methods,      [PMID:39651551] [10.1039/D4AY01849D]

3. Yang Tian, Yan YiFan, Xu YiYing, Chen YiLong, Zhi DaLong, Zhang Yan, Xiao ChaoNi.  (2025)  The screened triterpene acids from Loquat fruit by CysLTR1-immobilized column could serve as alternative anti-inflammatory agents.  BMC Complementary Medicine and Therapies,  25  (1): (1-13).  [PMID:40634939] [10.1186/s12906-025-04993-w]

4. Xin Zhang, Dapeng Li, Ke Jiang, Chao Zeng, Mi He, Xiancheng Ma, Chongshan Yang, Ling Li, Tao Wen.  (2026)  MOF-enhanced colorimetric sensor array for early detection of citrus infestation by Bactrocera dorsalis.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2026.114242]