SCS-C001956

penicisteckin G

Pathway: Shikimates and Phenylpropanoids Superclass: Coumarins Class: Isocoumarins

Chemical Structure

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Source Information

Penicillium steckii SCSIO 41228 (Penicillium)

Original source name: Penicillium steckii SCSIO41228

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

Guangxi coast

DOI: 10.27806/d.cnki.gglyx.2025.000269 · CNKI Dissertation

Drug-likeness (Lipinski Ro5)

Molecular Weight

386.4 Da

Threshold ≤ 500

ALogP

3.88

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C22H26O6

Molecular Weight:

386.4400 Da

SMILES:

COc1cc(O)c(-c2c(O)c(C)c3c(c2OC)OC(C)C3)c2c1COC(C)C2

InChIKey:

                        DQWOVSJZJDAEGD-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C22H26O6/c1-10-6-14-15(9-27-10)17(25-4)8-16(23)18(14)19-20(24)12(3)13-7-11(2)28-21(13)22(19)26-5/h8,10-11,23-24H,6-7,9H2,1-5H3

Calculated Properties

ALogP:

3.875 lipophilicity

TPSA:

77.38 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (2 aromatic)

Chiral Centers:

Fsp³:

0.4545 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001956

NPClassifier Pathway:

Shikimates and Phenylpropanoids

NPClassifier Superclass:

Coumarins

NPClassifier Class:

Isocoumarins

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
Antibacterial	MIC	S. aureus ATCC29213; MRSA ATCC25923	1.0 μg/mL	10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation
Antioxidant	IC50	DPPH	17.07 μg/mL	10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation

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