SCS-C007315

ircinrimane G

Pathway: Terpenoids Superclass: Diterpenoids Class: Halimane diterpenoids

Chemical Structure

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Source Information

Ircinia sp. (marine sponge)

Kingdom Metazoa Phylum Porifera Class Demospongiae Order Dictyoceratida Family Irciniidae Genus Ircinia Species Ircinia sp.

South China Sea

DOI: 10.1016/j.cjnm.2025.100012 · Chinese Journal of Natural Medicines

Drug-likeness (Lipinski Ro5)

Molecular Weight

415.5 Da

Threshold ≤ 500

ALogP

3.79

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C24H33NO5

Molecular Weight:

415.5300 Da

SMILES:

COC(=O)CNC1=CC(=O)C(O)=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O

InChIKey:

                        OYOKKIHDDDWGAK-OMDYYJPKSA-N
                        
                    

InChI:

InChI=1S/C24H33NO5/c1-14-7-6-8-17-15(2)23(3,9-10-24(14,17)4)12-16-21(28)18(11-19(26)22(16)29)25-13-20(27)30-5/h7,11,15,17,25,29H,6,8-10,12-13H2,1-5H3/t15-,17+,23-,24-/m1/s1

Calculated Properties

ALogP:

3.786 lipophilicity

TPSA:

92.70 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.6250 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007315

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Halimane diterpenoids

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
Antitumor	IC50	K562 (human erythroleukemic cancer) cell line	12.6 μmol·L?1	10.1016/j.cjnm.2025.100012 Chinese Journal of Natural Medicines

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