SCS-C006852

penicinoline F

Pathway: Alkaloids Superclass: Anthranilic acid alkaloids Class: Acridone alkaloids

Chemical Structure

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Download: SDF SMILES

Source Information

Penicillium steckii SCSIO 41025 (Penicillium)

Original source name: Penicillium steckii SCSIO 41025 (Trichocomaceae)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Penicillium Species Penicillium steckii

South China Sea · 21.235 N, 110.451 E

DOI: 10.1016/j.phytochem.2021.112730 · Phytochemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

286.3 Da

Threshold ≤ 500

ALogP

0.52

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H14N2O4

Molecular Weight:

286.2870 Da

SMILES:

Cn1c2c(c(=O)c3ccccc31)C(=O)N(CCCO)C2=O

InChIKey:

                        PUGLWFKSOLBELN-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C15H14N2O4/c1-16-10-6-3-2-5-9(10)13(19)11-12(16)15(21)17(14(11)20)7-4-8-18/h2-3,5-6,18H,4,7-8H2,1H3

Calculated Properties

ALogP:

0.517 lipophilicity

TPSA:

79.61 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.2667 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006852

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Anthranilic acid alkaloids

NPClassifier Class:

Acridone 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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