SCS-C007667

harzianopyridone

Pathway: Alkaloids | Polyketides

Chemical Structure

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Source Information

Trichoderma harzianum (NA)

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

South China Sea · 21.235°N, 110.451°E

DOI: 10.1002/cbdv.202400070 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

281.3 Da

Threshold ≤ 500

ALogP

1.88

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H19NO5

Molecular Weight:

281.3080 Da

SMILES:

C/C=C/C[C@@H](C)C(=O)c1c(O)c(OC)c(OC)[nH]c1=O

InChIKey:

                        FPYAYFJAGDIMEX-HQZHTGGTSA-N
                        
                    

InChI:

InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1

Calculated Properties

ALogP:

1.883 lipophilicity

TPSA:

88.62 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.4286 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007667

NPClassifier Pathway:

Alkaloids Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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