SCS-C001109

strepchloritide B

Pathway: Shikimates and Phenylpropanoids

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

Beibu Gulf

DOI: 10.1002/cjoc.201201062 · Chinese Journal of Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

297.5 Da

Threshold ≤ 500

ALogP

2.94

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H7Cl3O4

Molecular Weight:

297.5210 Da

SMILES:

O=C(/C=C(/O)c1cc(O)cc(O)c1)C(Cl)(Cl)Cl

InChIKey:

                        YPHCMIREOLATMX-XBXARRHUSA-N
                        
                    

InChI:

InChI=1S/C10H7Cl3O4/c11-10(12,13)9(17)4-8(16)5-1-6(14)3-7(15)2-5/h1-4,14-16H/b8-4+

Calculated Properties

ALogP:

2.936 lipophilicity

TPSA:

77.76 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.1000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001109

NPClassifier Pathway:

Shikimates and Phenylpropanoids

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	—	MCF-7	20.2 μM	10.1002/cjoc.201201062 Chinese Journal of Chemistry

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