Ganodermanontriol - Moligand™, ≥98% , CAS No.106518-63-2

CAS: 106518-63-2 Cat. No.: G664332 Molecular Weight: 472.70

GRADE & PURITY Moligand™, ≥98%

Synonyms

(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ganodermanontriol, a sterol derived from Ganoderma lucidum, showcases hepatoprotective activity and possesses anti-inflammatory properties in tert-butyl hydroperoxide (t-BHP)-damaged hepatic cells through the upregulation of HO-1 expression.

Specifications

Synonyms

(5R, 10S, 13R, 14R, 17R)-4, 4, 10, 13, 14-pentamethyl-17-[(2R, 5S)-5, 6, 7-trihydroxy-6-methylheptan-2-yl]-1, 2, 5, 6, 12, 15, 16, 17-octahydrocyclopenta[a]phenanthren-3-one

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
• IUPAC Name: (5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
• InChIKey: KASALCUNLBTNAA-LIPCCPSCSA-N
• INCHI: 1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25+,27-,28-,29+,30-/m1/s1
• Isomeric SMILES: C[C@H](CC[C@@H]([C@@](C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
• Alternate CAS: 106518-63-2
• MeSH Entry Terms: ganodermanontriol;GNDT triterpene
• Molecular Weight: 472.70

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Trihydroxy bile acids, alcohols and derivatives Hydroxysteroids 3-oxo-5-alpha-steroids 3-oxo delta-7-steroids 14-alpha-methylsteroids Delta-7-steroids Fatty alcohols Tertiary alcohols Secondary alcohols Cyclic ketones Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 26-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 24-hydroxysteroid - Cholane-skeleton - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 3-oxo-delta-7-steroid - 3-oxosteroid - 14-alpha-methylsteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Delta-7-steroid - Steroid - Fatty alcohol - Fatty acyl - Tertiary alcohol - Ketone - Secondary alcohol - Cyclic ketone - Polyol - Organooxygen compound - Primary alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: triterpenoid

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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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SI Tchem Sucrase-isomaltase (84 Activities)

Discover Target: SI

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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HUVEC (11049 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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Associated Targets(non-human)

Gaa Acidic alpha-glucosidase (551 Activities)

Discover Target: Gaa

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dengue virus type 2 (2400 Activities)

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HMGCR 3-hydroxy-3-methylglutaryl-coenzyme A reductase (17 Activities)

Discover Target: HMGCR

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 472.700 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 472.355 Da
• Monoisotopic Mass: 472.355 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 901.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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