SCS-C007215

trichosorbicilloid B

Glycoside

Chemical Structure

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Source Information

Trichoderma reesei (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Hypocreaceae Genus Trichoderma Species Trichoderma reesei

Offshore Hainan Island · 18.2629 N, 109.5772 E

DOI: 10.1016/j.fitote.2025.106580 · Fitoterapia

Drug-likeness (Lipinski Ro5)

Molecular Weight

439.5 Da

Threshold ≤ 500

ALogP

3.13

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C25H29NO6

Molecular Weight:

439.5080 Da

SMILES:

C/C=C/C=C/C(=O)CC[C@]1(C)OC(=O)[C@@]2(C)[C@H](c3c[nH]c4ccccc34)[C@@H](CO)O[C@]21O

InChIKey:

                        WCKCLFNLQMXYAV-CGWSNYJBSA-N
                        
                    

InChI:

InChI=1S/C25H29NO6/c1-4-5-6-9-16(28)12-13-23(2)25(30)24(3,22(29)32-23)21(20(15-27)31-25)18-14-26-19-11-8-7-10-17(18)19/h4-11,14,20-21,26-27,30H,12-13,15H2,1-3H3/b5-4+,9-6+/t20-,21-,23+,24-,25+/m1/s1

Calculated Properties

ALogP:

3.135 lipophilicity

TPSA:

108.85 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (2 aromatic)

Chiral Centers:

Fsp³:

0.4400 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007215

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

Yes

NPClassifier Status:

No classification

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 of NO production	LPS-induced RAW 264.7 cells	— Structured numeric value is not available in this record; see the primary reference.	10.1016/j.fitote.2025.106580 Fitoterapia

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