SCS-C005806

Excoaglolide H

Pathway: Terpenoids Superclass: Diterpenoids Class: Atisane diterpenoids

Chemical Structure

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Source Information

Excoecaria agallocha (mangrove plant)

Original source name: Excoecaria agallocha L.

Kingdom Viridiplantae Phylum Streptophyta Class Magnoliopsida Order Malpighiales Family Euphorbiaceae Genus Excoecaria Species Excoecaria agallocha

Wenchang

DOI: 10.1016/j.phytochem.2025.114440 · Phytochemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

304.5 Da

Threshold ≤ 500

ALogP

4.06

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C20H32O2

Molecular Weight:

304.4740 Da

SMILES:

C=C1[C@H]2CC[C@@]34CC[C@@H](C[C@H]3[C@]2(C)CC[C@@]1(C)O)[C@@](C)(O)C4

InChIKey:

                        XZXLEOJKXOBOGG-XUBFPOGISA-N
                        
                    

InChI:

InChI=1S/C20H32O2/c1-13-15-6-8-20-7-5-14(19(4,22)12-20)11-16(20)17(15,2)9-10-18(13,3)21/h14-16,21-22H,1,5-12H2,2-4H3/t14-,15+,16-,17+,18+,19-,20+/m0/s1

Calculated Properties

ALogP:

4.061 lipophilicity

TPSA:

40.46 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

5 (0 aromatic)

Chiral Centers:

Fsp³:

0.9000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005806

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Diterpenoids

NPClassifier Class:

Atisane 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	NO	inhibition in LPS-induced BV-2 microglial cells	10.1016/j.phytochem.2025.114440 Phytochemistry

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