SCS-C007753

penolsone E

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

474.6 Da

Threshold ≤ 500

ALogP

2.41

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C27H38O7

Molecular Weight:

474.5940 Da

SMILES:

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

InChIKey:

                        DLPIHJLBJIUORF-YMYUYBDKSA-N
                        
                    

InChI:

InChI=1S/C27H38O7/c1-12-10-16(28)20-25(6,27(12)11-15-19(34-27)13(2)14(3)33-23(15)32)9-8-17-24(4,5)21(30)18(29)22(31)26(17,20)7/h10,16-18,20-22,28-31H,8-9,11H2,1-7H3/t16-,17-,18+,20-,21-,22+,25+,26-,27-/m0/s1

Calculated Properties

ALogP:

2.412 lipophilicity

TPSA:

120.36 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (1 aromatic)

Chiral Centers:

Fsp³:

0.7407 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007753

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	10.0–12.079999999999998 μM	10.1002/cbdv.202500019 Chemistry & Biodiversity

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