SCS-C006937

talaromyine F

Pathway: Alkaloids Superclass: Tryptophan alkaloids Class: Carboline alkaloids

Chemical Structure

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Source Information

Talaromyces purpureogenus (NA)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Trichocomaceae Genus Talaromyces Species Talaromyces purpureogenus

South China Sea

DOI: 10.1016/j.phytochem.2024.114119 · Phytochemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

323.4 Da

Threshold ≤ 500

ALogP

2.45

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H21N3O2

Molecular Weight:

323.3960 Da

SMILES:

CC(C)=C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](C)C(=O)N21

InChIKey:

                        AORFJRDEHPKMGH-UVBJJODRSA-N
                        
                    

InChI:

InChI=1S/C19H21N3O2/c1-10(2)8-15-17-13(12-6-4-5-7-14(12)21-17)9-16-18(23)20-11(3)19(24)22(15)16/h4-8,11,15-16,21H,9H2,1-3H3,(H,20,23)/t11-,15-,16-/m0/s1

Calculated Properties

ALogP:

2.447 lipophilicity

TPSA:

65.20 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (2 aromatic)

Chiral Centers:

Fsp³:

0.3684 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006937

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Tryptophan alkaloids

NPClassifier Class:

Carboline alkaloids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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