SCS-C001234

steckfusarin D

Pathway: Alkaloids

Chemical Structure

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Source Information

Penicillium steckii SCSIO 41040 (Penicillium)

Original source name: Penicillium steckii SCSIO41040

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

South China Sea

DOI: 10.3390/md21100532 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

359.5 Da

Threshold ≤ 500

ALogP

3.73

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C21H29NO4

Molecular Weight:

359.4660 Da

SMILES:

CC/C=C(/C=C(C)/C=C/CC/C=C(\C)C(=O)C1CC(C)NC1=O)C(=O)O

InChIKey:

                        DFPMLVAJXNKBCU-PBKOSWJDSA-N
                        
                    

InChI:

InChI=1S/C21H29NO4/c1-5-9-17(21(25)26)12-14(2)10-7-6-8-11-15(3)19(23)18-13-16(4)22-20(18)24/h7,9-12,16,18H,5-6,8,13H2,1-4H3,(H,22,24)(H,25,26)/b10-7+,14-12+,15-11+,17-9-

Calculated Properties

ALogP:

3.730 lipophilicity

TPSA:

83.47 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.4762 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001234

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Antioxidant	inhibition	DPPH	100.0 μg/mL	10.3390/md21100532 Marine Drugs

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