SCS-C006200

Latifolicinin C

Pathway: Shikimates and Phenylpropanoids

Chemical Structure

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Source Information

Penicillium sp. (soft coral-derived fungus)

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

South China Sea

DOI: 10.3390/md17070398 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

194.2 Da

Threshold ≤ 500

ALogP

1.07

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C11H14O3

Molecular Weight:

194.2300 Da

SMILES:

COC(=O)[C@H](O)Cc1ccc(C)cc1

InChIKey:

                        LRDVCBPDBDRFBX-SNVBAGLBSA-N
                        
                    

InChI:

InChI=1S/C11H14O3/c1-8-3-5-9(6-4-8)7-10(12)11(13)14-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1

Calculated Properties

ALogP:

1.071 lipophilicity

TPSA:

46.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.3636 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006200

NPClassifier Pathway:

Shikimates and Phenylpropanoids

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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