SCS-C001876

Phenaziterpene B

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

362.5 Da

Threshold ≤ 500

ALogP

5.86

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C23H26N2O2

Molecular Weight:

362.5000 Da

SMILES:

COc1cccc2nc3c(OC/C=C(\C)CCC=C(C)C)cccc3nc12

InChIKey:

                        AYBXOQNDOSRELU-SAPNQHFASA-N
                        
                    

InChI:

InChI=1S/C23H26N2O2/c1-16(2)8-5-9-17(3)14-15-27-21-13-7-11-19-23(21)25-18-10-6-12-20(26-4)22(18)24-19/h6-8,10-14H,5,9,15H2,1-4H3/b17-14+

Calculated Properties

ALogP:

5.863 lipophilicity

TPSA:

44.24 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.3043 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001876

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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