Structure Database (LMSD)
Common Name
Ganodermanontriol
Systematic Name
3-oxo-lanosta-7,9(11)-dien-24S,25R,26-triol
Synonyms
3D model of Ganodermanontriol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
Biological Context
Ganodermanontriol is a triterpene that has been found in G. lucidum and has diverse biological activities.1,2,3,4 It inhibits the activity of HIV-1 protease (IC50 = 70 µM), as well as reduces the activity of 5α-reductase by 32% when used at a concentration of 667 µM.1,2 Ganodermanontriol (25 and 50 µM) inhibits proliferation, colony formation, invasion, and migration of MDA-MB-231 human breast cancer cells.3 It reduces hepatocyte necrosis and increases in hepatic TNF-α and IL-6 levels in a mouse model of LPS/D-galactosamine-induced acute liver injury when administered at a dose of 5 mg/kg.4
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
KASALCUNLBTNAA-LIPCCPSCSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CC=C3[C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H]([C@](CO)(C)O)O)C)[H])(CC=C3[C@]21C)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
505.36
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.46
Molar Refractivity
137.59
Admin
Created at
28th Oct 2020
Updated at
28th Jan 2021