SCS-C008116

piericidin P

Pathway: Polyketides

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

447.6 Da

Threshold ≤ 500

ALogP

4.58

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C25H37NO6

Molecular Weight:

447.5720 Da

SMILES:

C/C=C(\O)[C@H](OC)[C@H](C)/C=C(/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C)CO

InChIKey:

                        MUYNLSFWCHYONE-SQZLPMCASA-N
                        
                    

InChI:

InChI=1S/C25H37NO6/c1-8-21(28)23(30-5)17(3)14-19(15-27)11-9-10-16(2)12-13-20-18(4)22(29)24(31-6)25(26-20)32-7/h8-9,11-12,14,17,23,27-28H,10,13,15H2,1-7H3,(H,26,29)/b11-9+,16-12+,19-14-,21-8-/t17-,23-/m1/s1

Calculated Properties

ALogP:

4.580 lipophilicity

TPSA:

101.27 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-C008116

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

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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