SCS-C007755

penolsone B

Pathway: Terpenoids Superclass: Meroterpenoids | Diterpenoids Class: Breviane diterpenoids | Spriromeroterpenoids

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

454.6 Da

Threshold ≤ 500

ALogP

3.43

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C27H34O6

Molecular Weight:

454.5630 Da

SMILES:

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

InChIKey:

                        VJEIVCXOCWXHCI-LMNIAFNZSA-N
                        
                    

InChI:

InChI=1S/C27H34O6/c1-13-10-17(28)22-25(6)9-8-19(29)24(4,5)18(25)11-20(30)26(22,7)27(13)12-16-21(33-27)14(2)15(3)32-23(16)31/h8-10,17-18,20,22,28,30H,11-12H2,1-7H3/t17-,18-,20-,22+,25-,26+,27-/m0/s1

Calculated Properties

ALogP:

3.426 lipophilicity

TPSA:

96.97 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (1 aromatic)

Chiral Centers:

Fsp³:

0.6296 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007755

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Meroterpenoids Diterpenoids

NPClassifier Class:

Breviane diterpenoids Spriromeroterpenoids

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	8.83–10.61 μM	10.1002/cbdv.202500019 Chemistry & Biodiversity

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