SCS-C007752

penolsone C

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

436.5 Da

Threshold ≤ 500

ALogP

4.66

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C27H32O5

Molecular Weight:

436.5480 Da

SMILES:

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

InChIKey:

                        YAQDLRNIMQIJPX-ZJFGAQDMSA-N
                        
                    

InChI:

InChI=1S/C27H32O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h9-10,12,19,22H,8,11,13H2,1-7H3/t19-,22+,25-,26+,27-/m0/s1

Calculated Properties

ALogP:

4.663 lipophilicity

TPSA:

73.58 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (1 aromatic)

Chiral Centers:

Fsp³:

0.5926 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007752

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	9.72–10.8 μM	10.1002/cbdv.202500019 Chemistry & Biodiversity

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