SCS-C001702

Furospongin-1

Pathway: Terpenoids Superclass: Sesterterpenoids Class: Norsesterterpenoids

Chemical Structure

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Download: SDF SMILES

Source Information

Carteriospongia foliascens (Sponge)

Kingdom Metazoa Phylum Porifera Class Demospongiae Order Dictyoceratida Family Thorectidae Genus Phyllospongia Species Phyllospongia foliascens

Sanya Coral Reef

DOI: 10.1186/s13568-016-0272-2 · AMB Express

Drug-likeness (Lipinski Ro5)

Molecular Weight

330.5 Da

Threshold ≤ 500

ALogP

5.55

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C21H30O3

Molecular Weight:

330.5000 Da

SMILES:

C/C(=C\CCc1ccoc1)C[C@H](O)C[C@@H](C)CCCc1ccoc1

InChIKey:

                        SFDYMPBPKHWFDV-MQPQBDNESA-N
                        
                    

InChI:

InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-,21-/m0/s1

Calculated Properties

ALogP:

5.552 lipophilicity

TPSA:

46.51 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.5238 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001702

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesterterpenoids

NPClassifier Class:

Norsesterterpenoids

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
Antifouling	EC50	Balanus amphitrite cyprids	6.06 μM	10.1186/s13568-016-0272-2 AMB Express
Antifouling	LC50	Balanus amphitrite cyprids	153.0 μM	10.1186/s13568-016-0272-2 AMB Express

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