SCS-C001233

steckfusarin C

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

431.5 Da

Threshold ≤ 500

ALogP

2.75

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C23H29NO7

Molecular Weight:

431.4850 Da

SMILES:

CC/C=C(/C=C(C)/C=C/CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](C)(OC(C)=O)NC2=O)C(=O)O

InChIKey:

                        RURTXFHVYKNWTE-KLCFWFGESA-N
                        
                    

InChI:

InChI=1S/C23H29NO7/c1-6-10-17(19(27)28)13-14(2)11-8-7-9-12-15(3)18(26)23-20(31-23)22(5,24-21(23)29)30-16(4)25/h8,10-13,20H,6-7,9H2,1-5H3,(H,24,29)(H,27,28)/b11-8+,14-13+,15-12+,17-10-/t20-,22+,23-/m0/s1

Calculated Properties

ALogP:

2.752 lipophilicity

TPSA:

122.30 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.4783 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001233

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

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
Inactive / negative	—	—	— Structured numeric value is not available in this record; see the primary reference.	10.3390/md21100532 Marine Drugs

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