SCS-C001319

viridicatol

Pathway: Alkaloids Superclass: Tryptophan alkaloids | Anthranilic acid alkaloids Class: Quinoline alkaloids

Chemical Structure

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Source Information

Penicillium sp. SCSIO 41413 (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Penicillium Species NA

Weizhou Island

DOI: 10.3390/md21010027 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

253.2 Da

Threshold ≤ 500

ALogP

2.61

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H11NO3

Molecular Weight:

253.2500 Da

SMILES:

O=c1[nH]c2ccccc2c(-c2cccc(O)c2)c1O

InChIKey:

                        QIJIOTTYIGBOQA-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)

Calculated Properties

ALogP:

2.606 lipophilicity

TPSA:

73.32 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.0000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001319

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Tryptophan alkaloids Anthranilic acid alkaloids

NPClassifier Class:

Quinoline 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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