SCS-C007953

mintaimycin C

Pathway: Polyketides

Chemical Structure

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Source Information

Micromonospora sp. SCSIO 80128 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Micromonosporales Family Micromonosporaceae Genus Micromonospora Species NA

South China Sea

DOI: 10.1021/acs.orglett.5c02239 · Organic Letters

Drug-likeness (Lipinski Ro5)

Molecular Weight

486.7 Da

Threshold ≤ 500

ALogP

3.86

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C28H42N2O5

Molecular Weight:

486.6530 Da

SMILES:

CCC/C=C/C(=O)N[C@H](C(=O)N[C@H](CC(C)C)[C@@H](O)[C@@H]1CC[C@@H](C)OC1=O)[C@@H](C)c1ccccc1

InChIKey:

                        XBOGVACUKFLUCI-LTNFZYDISA-N
                        
                    

InChI:

InChI=1S/C28H42N2O5/c1-6-7-9-14-24(31)30-25(20(5)21-12-10-8-11-13-21)27(33)29-23(17-18(2)3)26(32)22-16-15-19(4)35-28(22)34/h8-14,18-20,22-23,25-26,32H,6-7,15-17H2,1-5H3,(H,29,33)(H,30,31)/b14-9+/t19-,20+,22+,23-,25+,26+/m1/s1

Calculated Properties

ALogP:

3.865 lipophilicity

TPSA:

104.73 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.6071 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007953

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
Antibacterial	—	tested bacterial strains	antibacterial assessment of ??? revealed no detectable activity against the tested strains, corroborating prior literature findings.	10.1021/acs.orglett.5c02239 Organic Letters

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