SCS-C008114

piericidin N

Chemical Structure

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Source Information

Streptomyces psammoticus (Streptomyces)

Original source name: Streptomyces psammoticus | S. psammoticus SCSIO NS126

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

South China Sea

DOI: 10.3390/md19080428 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

415.6 Da

Threshold ≤ 500

ALogP

5.46

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C25H37NO4

Molecular Weight:

415.5740 Da

SMILES:

COc1nc(C/C=C(\C)C/C=C/C(C)=C/[C@@H](C)/C=C(\C)[C@@H](C)O)c(C)c(O)c1OC

InChIKey:

                        RIJSKYPRXDCNDA-CWCJZDMLSA-N
                        
                    

InChI:

InChI=1S/C25H37NO4/c1-16(10-9-11-17(2)14-18(3)15-19(4)21(6)27)12-13-22-20(5)23(28)24(29-7)25(26-22)30-8/h9,11-12,14-15,18,21,27H,10,13H2,1-8H3,(H,26,28)/b11-9+,16-12+,17-14+,19-15+/t18-,21-/m1/s1

Calculated Properties

ALogP:

5.457 lipophilicity

TPSA:

71.81 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.4800 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008114

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Antitumor	IC50	HL-60 cells	< 0.1 μM	10.3390/md19080428 Marine Drugs

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