SCS-C003689

chondrosterin H

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

Chemical Structure

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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

196.6 Da

Threshold ≤ 500

ALogP

-0.02

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H9ClO2

Molecular Weight:

196.6330 Da

SMILES:

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

InChIKey:

                        HLRPPOICVMRORL-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C10H9ClO2/c1-2-3-4-5-6-7-9(11)10(13)8-12/h9-10,12-13H,8H2,1H3

Calculated Properties

ALogP:

-0.023 lipophilicity

TPSA:

40.46 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-C003689

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: CMNPD23419

Biological Activity Data

No bioactivity data available for this compound.

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