SCS-C000731

Lobopaucinoid C

Pathway: Terpenoids Superclass: Diterpenoids Class: Lobane diterpenoids

Chemical Structure

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Source Information

Lobophytum pauciflorum (soft coral)

Original source name: Lobophytum pauciflorum Ehrenberg

Kingdom Metazoa Phylum Cnidaria Class Anthozoa Order Malacalcyonacea Family Alcyoniidae Genus Lobophytum Species Lobophytum pauciflorum

Yongle Islands

DOI: 10.1016/j.phytochem.2025.114416 · Phytochemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

334.4 Da

Threshold ≤ 500

ALogP

3.30

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C20H30O4

Molecular Weight:

334.4500 Da

SMILES:

C=C[C@@]1(C)CC[C@](O)(C2=CC[C@H](C(C)(C)O)OC2=O)C[C@@H]1C(=C)C

InChIKey:

                        UUGCWPUUSADRHP-YAJHFMINSA-N
                        
                    

InChI:

InChI=1S/C20H30O4/c1-7-19(6)10-11-20(23,12-15(19)13(2)3)14-8-9-16(18(4,5)22)24-17(14)21/h7-8,15-16,22-23H,1-2,9-12H2,3-6H3/t15-,16-,19+,20-/m1/s1

Calculated Properties

ALogP:

3.299 lipophilicity

TPSA:

66.76 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.6500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000731

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Lobane 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
Anti-inflammatory	inhibition_percent	CuSO4-induced inflammation in transgenic zebrafish [Tg:zlyz-EGFP]	24.75 %	10.1016/j.phytochem.2025.114416 Phytochemistry

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