SCS-C007758

penolsone F

Pathway: Polyketides | Terpenoids Superclass: Meroterpenoids Class: Spriromeroterpenoids | Triketide meroterpenoids

Chemical Structure

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Source Information

Penicillium olsonii SCSIO 41803 (NA)

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

South China Sea · >1000 m

DOI: 10.1002/cbdv.202500019 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

444.6 Da

Threshold ≤ 500

ALogP

3.13

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C26H36O6

Molecular Weight:

444.5680 Da

SMILES:

CC1=C[C@H](O)[C@@H]2[C@@]3(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(cc(C)oc1=O)O2

InChIKey:

                        CREQFCDHUMOGMY-MPGFVJENSA-N
                        
                    

InChI:

InChI=1S/C26H36O6/c1-13-9-16(27)21-24(5,26(13)12-15-17(32-26)10-14(2)31-22(15)30)8-7-18-23(3,4)19(28)11-20(29)25(18,21)6/h9-10,16,18-21,27-29H,7-8,11-12H2,1-6H3/t16-,18-,19-,20+,21-,24+,25+,26-/m0/s1

Calculated Properties

ALogP:

3.133 lipophilicity

TPSA:

100.13 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (1 aromatic)

Chiral Centers:

Fsp³:

0.7308 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007758

NPClassifier Pathway:

Polyketides Terpenoids

NPClassifier Superclass:

Meroterpenoids

NPClassifier Class:

Spriromeroterpenoids Triketide meroterpenoids

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
Anti-inflammatory	nitric oxide concentration	nitric oxide production	9.07–9.79 μM	10.1002/cbdv.202500019 Chemistry & Biodiversity

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