SCS-C008156

L-tryptophan

Pathway: Amino acids and Peptides | Shikimates and Phenylpropanoids Superclass: Small peptides Class: Aminoacids

Chemical Structure

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Source Information

Aspergillus sclerotiorum (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Aspergillus Species Aspergillus sclerotiorum

South China Sea

DOI: 10.3390/md24040128 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

204.2 Da

Threshold ≤ 500

ALogP

1.12

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C11H12N2O2

Molecular Weight:

204.2290 Da

SMILES:

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

InChIKey:

                        QIVBCDIJIAJPQS-VIFPVBQESA-N
                        
                    

InChI:

InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

Calculated Properties

ALogP:

1.122 lipophilicity

TPSA:

79.11 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.1818 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008156

NPClassifier Pathway:

Amino acids and Peptides Shikimates and Phenylpropanoids

NPClassifier Superclass:

Small peptides

NPClassifier Class:

Aminoacids

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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