SCS-C008118

piericidin R

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

401.5 Da

Threshold ≤ 500

ALogP

5.21

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C24H35NO4

Molecular Weight:

401.5470 Da

SMILES:

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

InChIKey:

                        XIYTULCDRXWIHO-LCPQRZDBSA-N
                        
                    

InChI:

InChI=1S/C24H35NO4/c1-8-18(4)21(26)15-13-17(3)11-9-10-16(2)12-14-20-19(5)22(27)23(28-6)24(25-20)29-7/h8-9,11-13,21,26H,10,14-15H2,1-7H3,(H,25,27)/b11-9+,16-12+,17-13+,18-8+/t21-/m1/s1

Calculated Properties

ALogP:

5.211 lipophilicity

TPSA:

71.81 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.4583 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008118

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

No bioactivity data available for this compound.

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