SCS-C006050

streptophenazine O

Pathway: Alkaloids Superclass: Anthranilic acid alkaloids Class: Phenazine alkaloids

Chemical Structure

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Source Information

Streptomyces globisporus SCSIO LCY30 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species Streptomyces globisporus

South China Sea

DOI: 10.3390/md22010021 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

424.5 Da

Threshold ≤ 500

ALogP

4.66

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C24H28N2O5

Molecular Weight:

424.4970 Da

SMILES:

CCCCCCC[C@@H](C(=O)O)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12

InChIKey:

                        XYORNYZVPHCJQE-VGOFRKELSA-N
                        
                    

InChI:

InChI=1S/C24H28N2O5/c1-3-4-5-6-7-10-17(23(28)29)22(27)15-11-8-13-18-20(15)25-19-14-9-12-16(21(19)26-18)24(30)31-2/h8-9,11-14,17,22,27H,3-7,10H2,1-2H3,(H,28,29)/t17-,22-/m1/s1

Calculated Properties

ALogP:

4.664 lipophilicity

TPSA:

109.61 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.4167 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006050

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Anthranilic acid alkaloids

NPClassifier Class:

Phenazine alkaloids

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.

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