SCS-C006131

peniotrinin D

Pathway: Polyketides Superclass: Chromanes Class: Azaphilones

Chemical Structure

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Source Information

Peniophora sp. (NA)

Kingdom Fungi Phylum Basidiomycota Class Agaricomycetes Order Russulales Family Peniophoraceae Genus Peniophora Species Peniophora sp.

South China Sea

DOI: 10.3390/md22050218 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

392.4 Da

Threshold ≤ 500

ALogP

1.91

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H20O9

Molecular Weight:

392.3600 Da

SMILES:

Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2/C(O)=C1/OC(=O)C=C1CO

InChIKey:

                        FPFZHENCPCEBKW-DGGBOMDHSA-N
                        
                    

InChI:

InChI=1S/C19H20O9/c1-6-8(3)27-18(16(24)17-9(5-20)4-10(21)28-17)12-11(6)7(2)14(22)13(15(12)23)19(25)26/h4,6,8,18,20,22-24H,5H2,1-3H3,(H,25,26)/b17-16-/t6-,8-,18+/m1/s1

Calculated Properties

ALogP:

1.913 lipophilicity

TPSA:

153.75 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.3684 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006131

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Azaphilones

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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