Structure Database (LMSD)

Common Name
Ganoderone A
Systematic Name
(24E)-26-hydroxylanosta-8,24-diene-3,7-dione
Synonyms
  • 5alpha-lanosta-8,24-diene-26-hydroxy-3,7-dione
LM ID
LMPR0106050020
Formula
C30H46O3
Exact Mass
Calculate m/z
454.344695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Lanostane triterpenoids [PR010605]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma pfeifferi (#34464)
Agaricomycetes (#155619)
Antiviral Terpenoid Constituents of Ganoderma pfeifferi.,
J Nat Prod, 2005
Pubmed ID: 16378363

String Representations

InChiKey (Click to copy)
SDAWCNCFVWQZDP-GOUGDUPLSA-N
InChi (Click to copy)
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1
SMILES (Click to copy)
C(C/C=C(/CO)\C)[C@H]([C@]1([H])[C@]2(C)[C@@](C3C(=O)C[C@]4([H])[C@@](CCC([C@@]4(C)C)=O)(C)C=3CC2)(C)CC1)C

Other Databases

CHEBI ID
65945
PubChem CID
11705156
PDB ID
98H

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 493.93
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.12
Molar Refractivity 134.17

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Created at
15th Dec 2023
Updated at
15th Dec 2023