SCS-C007718

tritirachdioic D

Pathway: Terpenoids Superclass: Sesquiterpenoids Class: Farnesane sesquiterpenoids

Chemical Structure

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Source Information

Tritirachium sp. SCSIO 41037 (NA)

Original source name: Tritirachium sp. SCSIO 41037 (isolated from soft coral Scleronephthya pustulosa BH5)

Kingdom Fungi Phylum Basidiomycota Class Tritirachiomycetes Order Tritirachiales Family Tritirachiaceae Genus Tritirachium Species Tritirachium sp.

South China Sea

DOI: 10.1002/cbdv.202503483 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

506.6 Da

Threshold ≤ 500

ALogP

-0.50

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

2 violations (MW, HBD) — not drug-like by Ro5

Chemical Properties

Molecular Formula:

C24H42O11

Molecular Weight:

506.5890 Da

SMILES:

CC(=C\C(=O)O)/C=C(\C)CC(C)CCCCC(O)C(CO)C(=O)OCC(O)C(O)C(O)C(O)CO

InChIKey:

                        GZYGZULOFABNDZ-KAVGSWPWSA-N
                        
                    

InChI:

InChI=1S/C24H42O11/c1-14(8-15(2)9-16(3)10-21(30)31)6-4-5-7-18(27)17(11-25)24(34)35-13-20(29)23(33)22(32)19(28)12-26/h9-10,14,17-20,22-23,25-29,32-33H,4-8,11-13H2,1-3H3,(H,30,31)/b15-9+,16-10+

Calculated Properties

ALogP:

-0.501 lipophilicity

TPSA:

205.21 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

0.7500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007718

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesquiterpenoids

NPClassifier Class:

Farnesane sesquiterpenoids

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
Antioxidant	—	DPPH radical scavenging assay	All compounds were subjected to comprehensive testing for antioxidant activity and acetylcholinesterase inhibitory activity. Unfortunately, none of the compounds demonstrated significant activity at 50 μg/mL.	10.1002/cbdv.202503483 Chemistry & Biodiversity
Enzyme inhibition	—	acetylcholinesterase (AChE)	All compounds were subjected to comprehensive testing for antioxidant activity and acetylcholinesterase inhibitory activity. Unfortunately, none of the compounds demonstrated significant activity at 50 μg/mL.	10.1002/cbdv.202503483 Chemistry & Biodiversity

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