SCS-C006510

lucidadone H

Pathway: Terpenoids Superclass: Triterpenoids Class: Lanostane, Tirucallane and Euphane triterpenoids

Chemical Structure

Loading 3D structure...

3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Ganoderma luteomarginatum (NA)

Original source name: Ganoderma luteomarginatum | G. luteomarginatum

Kingdom Fungi Phylum Basidiomycota Class Agaricomycetes Order Polyporales Family Polyporaceae Genus Ganoderma Species Ganoderma luteomarginatum

South China Sea

DOI: 10.3390/molecules27206989 · Molecules

Drug-likeness (Lipinski Ro5)

Molecular Weight

398.5 Da

Threshold ≤ 500

ALogP

3.43

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C24H30O5

Molecular Weight:

398.4990 Da

SMILES:

CC(=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O

InChIKey:

                        SRHNIGNLFWSBJZ-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C24H30O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13,16H,7-11H2,1-6H3

Calculated Properties

ALogP:

3.431 lipophilicity

TPSA:

85.35 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (0 aromatic)

Chiral Centers:

Fsp³:

0.7083 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006510

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Triterpenoids

NPClassifier Class:

Lanostane, Tirucallane and Euphane triterpenoids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

Back to Compounds