SCS-C006051
streptophenazine M
Pathway: Alkaloids
Superclass: Anthranilic acid alkaloids
Class: Phenazine alkaloids
Chemical Structure
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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
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
438.5 Da
Threshold ≤ 500
ALogP
4.61
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
7
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C25H30N2O5
Molecular Weight:
438.5240 Da
SMILES:
COC(=O)c1cccc2nc3c([C@@H](O)[C@@H](CCCCC(C)C)C(=O)OC)cccc3nc12
InChIKey:
CGWWWFZGEOYBRY-WZONZLPQSA-N
InChI:
InChI=1S/C25H30N2O5/c1-15(2)9-5-6-10-18(25(30)32-4)23(28)16-11-7-13-19-21(16)26-20-14-8-12-17(22(20)27-19)24(29)31-3/h7-8,11-15,18,23,28H,5-6,9-10H2,1-4H3/t18-,23-/m1/s1
Calculated Properties
ALogP:
4.609 lipophilicity
TPSA:
98.61 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
7
Rotatable Bonds:
9
Ring Count:
3
(3 aromatic)
Chiral Centers:
2
Fsp³:
0.4400 fraction sp³ carbon
Database Information
Compound ID:
SCS-C006051
NPClassifier Pathway:
Alkaloids
NPClassifier Superclass:
Anthranilic acid alkaloids
NPClassifier Class:
Phenazine alkaloids
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.