LIPID MAPS

Structure Database (LMSD)

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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

Main

Classification

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

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

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