SCS-C003650

chondrosterin G

Pathway: Fatty acids Superclass: Fatty acyls Class: Fatty alcohols

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

Chondrostereum sp. (NA)

Kingdom Fungi Phylum Basidiomycota Class Agaricomycetes Order Agaricales Family Cyphellaceae Genus Chondrostereum Species NA

Sanya

DOI: 10.3390/md11020551 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

178.2 Da

Threshold ≤ 500

ALogP

-1.27

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H10O3

Molecular Weight:

178.1870 Da

SMILES:

CC#CC#CC#CC(O)C(O)CO

InChIKey:

                        UOVOEWJCBOKVTL-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C10H10O3/c1-2-3-4-5-6-7-9(12)10(13)8-11/h9-13H,8H2,1H3

Calculated Properties

ALogP:

-1.269 lipophilicity

TPSA:

60.69 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

0.4000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003650

NPClassifier Pathway:

Fatty acids

NPClassifier Superclass:

Fatty acyls

NPClassifier Class:

Fatty alcohols

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD23418

Biological Activity Data

No bioactivity data available for this compound.

Back to Compounds