SCS-C007952

mintaimycin A2

Pathway: Amino acids and Peptides | 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

3.55

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:

CC(C)C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)[C@@H](O)[C@@H]1CC[C@@H](C)OC1=O

InChIKey:

                        DKPSMGKDUSUDMC-UIRIFUFXSA-N
                        
                    

InChI:

InChI=1S/C28H42N2O5/c1-18(2)10-9-13-25(31)29-24(17-21-11-7-6-8-12-21)27(33)30-23(16-19(3)4)26(32)22-15-14-20(5)35-28(22)34/h6-9,11-13,18-20,22-24,26,32H,10,14-17H2,1-5H3,(H,29,31)(H,30,33)/b13-9+/t20-,22+,23-,24+,26+/m1/s1

Calculated Properties

ALogP:

3.550 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-C007952

NPClassifier Pathway:

Amino acids and Peptides 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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