Structure Database (LMSD)
Common Name
Ganocasurarin A
Systematic Name
3-oxo-14-demethyl-lanosta-8(14),24-dien-15α-methyl-7α,9α,15β,26-tetraol
Synonyms
3D model of Ganocasurarin A
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ganoderma casuarinicola
(#2057914)
Agaricomycetes
(#155619)
Ganoweberianones A and B, Antimalarial Lanostane Dimers from Cultivated Fruiting Bodies of the Basidiomycete Ganoderma weberianum.,
J Nat Prod, 2020
J Nat Prod, 2020
Pubmed ID:
33107297
String Representations
InChiKey (Click to copy)
WYNYDFXRBXAWPQ-FNNNXPDTSA-N
InChi (Click to copy)
InChI=1S/C30H48O5/c1-18(17-31)9-8-10-19(2)20-16-29(7,34)25-24-21(32)15-22-26(3,4)23(33)11-12-28(22,6)30(24,35)14-13-27(20,25)5/h9,19-22,31-32,34-35H,8,10-17H2,1-7H3/b18-9+/t19-,20-,21-,22+,27-,28+,29-,30-/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])C[C@@H](O)C3=C4[C@@]([C@](C[C@@]4(C)O)([C@@H](CC/C=C(\C)/CO)C)[H])(CC[C@]3(O)[C@]21C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
514.15
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
5.86
Molar Refractivity
139.56
Admin
Created at
25th Feb 2021
Updated at
25th Feb 2021