SCS-C001718

meyeroguilline B

Pathway: Alkaloids Superclass: Pseudoalkaloids Class: Isoindole alkaloids

Chemical Structure

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Source Information

Meyerozyma guilliermondii (NA)

Kingdom Fungi Phylum Ascomycota Class Pichiomycetes Order Serinales Family Debaryomycetaceae Genus Meyerozyma Species Meyerozyma guilliermondii

Huizhou Mangrove Nature Reserve

DOI: 10.3762/bjoc.11.133 · Beilstein Journal of Organic Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

193.2 Da

Threshold ≤ 500

ALogP

0.28

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1600 Da

SMILES:

COc1cc(O)cc2c1C(=O)NC2=O

InChIKey:

                        OGXSYNWDTTWUQO-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C9H7NO4/c1-14-6-3-4(11)2-5-7(6)9(13)10-8(5)12/h2-3,11H,1H3,(H,10,12,13)

Calculated Properties

ALogP:

0.284 lipophilicity

TPSA:

75.63 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.1111 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001718

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Pseudoalkaloids

NPClassifier Class:

Isoindole alkaloids

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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