SCS-C007688

suberitolactam D

Chemical Structure

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Source Information

Pseudospongosorites suberitoides (NA)

Original source name: Pseudospongosorites suberitoides (abbreviated as P. suberitoides in text)

Kingdom Metazoa Phylum Porifera Class Demospongiae Order Suberitida Family Suberitidae Genus Pseudospongosorites Species Pseudospongosorites suberitoides

South China Sea · 20 m

DOI: 10.1002/cbdv.202400939 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

275.3 Da

Threshold ≤ 500

ALogP

1.61

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H17NO4

Molecular Weight:

275.3040 Da

SMILES:

COC(=O)/C=C1\CCC(=O)N1CCc1ccc(O)cc1

InChIKey:

                        HNDRHRTYLDRJLK-ZRDIBKRKSA-N
                        
                    

InChI:

InChI=1S/C15H17NO4/c1-20-15(19)10-12-4-7-14(18)16(12)9-8-11-2-5-13(17)6-3-11/h2-3,5-6,10,17H,4,7-9H2,1H3/b12-10+

Calculated Properties

ALogP:

1.614 lipophilicity

TPSA:

66.84 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.3333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007688

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

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
Antiviral	—	H1N1 influenza virus	Compounds 2–7 exhibited no antiviral activity against H1N1.	10.1002/cbdv.202400939 Chemistry & Biodiversity

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