Solanesol from tobacco - ≥90% , CAS No.13190-97-1

CAS: 13190-97-1 Cat. No.: S107396 Peso molecular: 631.07 Número EC: 603-532-7

GRADE & PURITY ≥90%

Synonyms

EC 215-542-5 | NCGC00095707-02 | Solanesol (Nonaisoprenol) | Solanesol | SR-05000002169 | 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)- | Solanesol from tobacco | Solanesol from tobacco, >=90% (HPLC) | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

EC 215-542-5 | NCGC00095707-02 | Solanesol (Nonaisoprenol) | Solanesol | SR-05000002169 | 2, 6, 10, 14, 18, 22, 26, 30, 34-Hexatriacontanonaen-1-ol, 3, 7, 11, 15, 19, 23, 27, 31, 35-nonamethyl-, (all-E)- | Solanesol from tobacco | Solanesol from tobacco, >=90% (HPLC) | A

Especificaciones y pureza

≥90%

Mecanismos bioquímicos y fisiológicos

Phytochemical present in tobacco leaf. Starting material for synthesis of co-enzyme Q10. Exhibits antiulcer activity.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C
• IUPAC Name: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
• InChIKey: AFPLNGZPBSKHHQ-MEGGAXOGSA-N
• INCHI: 1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
• Isómeros SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C
• WGK Alemania: 3
• RTECS: MP5366666
• Peso molecular: 631.07
• Reaxy-Rn: 1810089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1810089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Polyprenols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Polyprenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyprenols
• Alternative Parents: Polyterpenoids Bactoprenols Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyterpenoid - Bactoprenol - Polyprenol skeleton - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyprenols. These are prenols with more than 4 consecutive isoprene units.
• External Descriptors: primary alcohol - nonaprenol

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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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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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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 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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MCF7 (126967 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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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 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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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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786-0 (47912 Activities)

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A549 (127892 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-N (28205 Activities)

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Malme-3M (44254 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Punto de fusión (°C): 42°C
• Peso molecular: 631.100 g/mol
• XLogP3: 15.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 25
• Exact Mass: 630.574 Da
• Monoisotopic Mass: 630.574 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 8
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 8
• Covalently-Bonded Unit Count: 1

Referencias

1. Yanwei Yang, Shuaichao Wang, Lei Liu, Bolin Yue, Peilan Qi, Mengke Zhang, Shiyong Song.  (2024)  A Triterpene-Based bioactive drug delivery system for combined chemotherapy of liver cancer.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38917949] [10.1016/j.ejpb.2024.114378]

2. Yao Wang, Junhua Qiu, Chengwei Wang, Ruiyu Yang, Fuyou Guo, Tian Li, Shili Li, Lei Yang, Wei Ding.  (2026)  Sustainable Strategy of Natural trans-Anethole in Controlling Bacterial Wilt: Virulence Suppression and Beneficial Microbiome Enrichment.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41568748] [10.1021/acs.jafc.5c13627]