SCS-C003459

urdamycin N3

Pathway: Polyketides Superclass: Polycyclic aromatic polyketides Class: Angucyclines

Chemical Structure

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Source Information

Streptomyces diastaticus (NA)

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

Yalong Bay

DOI: 10.3390/md16060185 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

464.5 Da

Threshold ≤ 500

ALogP

2.92

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C26H24O8

Molecular Weight:

464.4700 Da

SMILES:

COc1cc2c(c3c(O)cc(C)cc13)C(=O)c1ccc([C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)c(O)c1C2=O

InChIKey:

                        NDLLZHNWFWEGGG-CCARIGQNSA-N
                        
                    

InChI:

InChI=1S/C26H24O8/c1-10-6-14-18(33-3)8-15-21(20(14)16(27)7-10)25(31)13-5-4-12(24(30)22(13)26(15)32)19-9-17(28)23(29)11(2)34-19/h4-8,11,17,19,23,27-30H,9H2,1-3H3/t11-,17-,19-,23-/m1/s1

Calculated Properties

ALogP:

2.915 lipophilicity

TPSA:

133.52 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (3 aromatic)

Chiral Centers:

Fsp³:

0.3077 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003459

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Polycyclic aromatic polyketides

NPClassifier Class:

Angucyclines

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD30018

Biological Activity Data

No bioactivity data available for this compound.

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