(20S)-Protopanaxatriol - 10mM in DMSO , CAS No.34080-08-5

CAS: 34080-08-5 Cat. No.: S423481 Formula: C₃₀H₅₂O₄ Peso molecolare: 476.73

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

(20S)-Protopanaxatriol|34080-08-5|Protopanaxatriol|Protopanaxtriol|20(S)-protopanaxatriol|20S-Protopanaxatriol|g-PPT|ZMK19P3WMP|20(S)-APPT|CHEBI:75951|dammar-24-ene-3beta,6alpha,12beta,20-tetrol|(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

(20S)-Protopanaxatriol | 34080-08-5 | Protopanaxatriol | Protopanaxtriol | 20(S)-protopanaxatriol | 20S-Protopanaxatriol | g-PPT | ZMK19P3WMP | 20(S)-APPT | CHEBI:75951 | dammar-24-ene-3beta,6alpha,12beta,20-tetrol | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-me

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Ginsenoside Rg1 , Re, Rf and Rg2 analog. Increases intracellular Ca 2+ levels. Induces eNOS activation and NO production. Functional GR and ERβ receptor ligand. Active in vivo.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

Pubchem Sid

528757683

Sorrisi canonici

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C

IUPAC Name

(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol

InChIKey

SHCBCKBYTHZQGZ-CJPZEJHVSA-N

INCHI

1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1

Isomeri SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C

Peso molecolare

476.73

Reaxy-Rn

48405371

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48405371&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: 6-hydroxysteroids 3-beta-hydroxysteroids 14-alpha-methylsteroids 12-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 20-hydroxysteroid - 3-hydroxysteroid - 12-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 14-alpha-methylsteroid - 3-beta-hydroxysteroid - Steroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: 3beta-hydroxy steroid - 6alpha-hydroxy steroid - tetracyclic triterpenoid - sapogenin - 12beta-hydroxy steroid

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

Obiettivi associati (umani)

CKM Tbio Creatine kinase M (67 Activities)

Discover Target: CKM

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BGC-823 (3035 Activities)

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HL-60 (67320 Activities)

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HepG2 (196354 Activities)

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HUVEC (11049 Activities)

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MDA-MB-231 (73002 Activities)

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SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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LLC-PK1 (2135 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

CKM Creatine kinase M-type (22 Activities)

Discover Target: CKM

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Peso molecolare: 476.700 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 476.387 Da
• Monoisotopic Mass: 476.387 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 817.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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