SCS-C004822

oxiamycin

Pathway: Alkaloids Superclass: Tryptophan alkaloids Class: Carbazole alkaloids

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

South China Sea

DOI: 10.1002/ejoc.201200599 · European Journal of Organic Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

379.5 Da

Threshold ≤ 500

ALogP

4.27

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C23H25NO4

Molecular Weight:

379.4560 Da

SMILES:

C[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)Oc3cc4c(cc3CC[C@@H]12)[nH]c1ccccc14

InChIKey:

                        WFJWYMIUZRCIHV-VAPSRWTKSA-N
                        
                    

InChI:

InChI=1S/C23H25NO4/c1-22-10-9-20(25)23(2,21(26)27)19(22)8-7-13-11-17-15(12-18(13)28-22)14-5-3-4-6-16(14)24-17/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,26,27)/t19-,20+,22+,23+/m1/s1

Calculated Properties

ALogP:

4.267 lipophilicity

TPSA:

82.55 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (3 aromatic)

Chiral Centers:

Fsp³:

0.4348 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004822

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Tryptophan alkaloids

NPClassifier Class:

Carbazole alkaloids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD21970

Biological Activity Data

No bioactivity data available for this compound.

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