SCS-C005635

piericidin F

Pathway: Polyketides

Chemical Structure

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Source Information

Streptomyces sp. (bacterium)

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

Guangdong coast

DOI: 10.1021/acs.jnatprod.7b00016 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

399.6 Da

Threshold ≤ 500

ALogP

6.10

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C25H37NO3

Molecular Weight:

399.5750 Da

SMILES:

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

InChIKey:

                        WBZNFOMHJXUTGU-JYZZBQMTSA-N
                        
                    

InChI:

InChI=1S/C25H37NO3/c1-9-19(4)25(29-8)20(5)15-18(3)12-10-11-17(2)13-14-22-21(6)23(27)16-24(26-22)28-7/h9-10,12-13,15-16,20,25H,11,14H2,1-8H3,(H,26,27)/b12-10+,17-13+,18-15+,19-9+/t20-,25+/m1/s1

Calculated Properties

ALogP:

6.103 lipophilicity

TPSA:

51.58 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-C005635

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 CMNPD: CMNPD28486

Biological Activity Data

No bioactivity data available for this compound.

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