SCS-C001875

Phenaziterpene A

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

Chemical Structure

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Source Information

Streptomyces niveus SCSIO 3406 (NA)

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

South China Sea · -3536 m · E 120°0.250′, N 20°22.971′

DOI: 10.1021/np4006025 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

348.4 Da

Threshold ≤ 500

ALogP

5.56

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C22H24N2O2

Molecular Weight:

348.4000 Da

SMILES:

CC(C)=CCC/C(C)=C/COc1cccc2nc3c(O)cccc3nc12

InChIKey:

                        GTZWCZPREISNMM-DTQAZKPQSA-N
                        
                    

InChI:

InChI=1S/C22H24N2O2/c1-15(2)7-4-8-16(3)13-14-26-20-12-6-10-18-22(20)24-17-9-5-11-19(25)21(17)23-18/h5-7,9-13,25H,4,8,14H2,1-3H3/b16-13+

Calculated Properties

ALogP:

5.560 lipophilicity

TPSA:

55.24 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.2727 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001875

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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