SCS-C001513

(3R,5R)-5-hydroxy-de-O-methyllasiodiplodin

Chemical Structure

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Source Information

Trichoderma sp. 307 (NA)

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

Zhanjiang Mangrove National Nature Reserve

DOI: 10.3390/md15020035 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

278.3 Da

Threshold ≤ 500

ALogP

2.33

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H18O5

Molecular Weight:

278.3040 Da

SMILES:

C[C@@H]1[CH][C@H]([CH]O)CCCc2cc(O)cc(O)c2C(=O)O1

InChIKey:

                        NTJVJSWSSQLNAF-NXEZZACHSA-N
                        
                    

InChI:

InChI=1S/C15H18O5/c1-9-5-10(8-16)3-2-4-11-6-12(17)7-13(18)14(11)15(19)20-9/h5-10,16-18H,2-4H2,1H3/t9-,10-/m1/s1

Calculated Properties

ALogP:

2.334 lipophilicity

TPSA:

86.99 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.4000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001513

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

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
Enzyme inhibition	IC50	α-glucosidase	> 200.0 μM	10.3390/md15020035 Marine Drugs

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