SCS-C006130

peniotrinin C

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

344.4 Da

Threshold ≤ 500

ALogP

3.42

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H20O6

Molecular Weight:

344.3630 Da

SMILES:

Cc1c(O)c(C(=O)O)c(O)c2c1[C@@H](C)[C@H](C)O[C@@H]2c1ccc(O)cc1

InChIKey:

                        JETJTWDMFCQTSK-NIHYUSDNSA-N
                        
                    

InChI:

InChI=1S/C19H20O6/c1-8-10(3)25-18(11-4-6-12(20)7-5-11)14-13(8)9(2)16(21)15(17(14)22)19(23)24/h4-8,10,18,20-22H,1-3H3,(H,23,24)/t8-,10-,18+/m0/s1

Calculated Properties

ALogP:

3.422 lipophilicity

TPSA:

107.22 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.3158 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006130

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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