SCS-C008241

galvaquinone E

Pathway: Polyketides Superclass: Polycyclic aromatic polyketides Class: Anthraquinones and anthrones

Chemical Structure

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Source Information

Micromonospora sp. SCSIO 07396 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Micromonosporales Family Micromonosporaceae Genus Micromonospora Species NA

South China Sea

DOI: 10.1021/acs.jnatprod.6c00037 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

336.3 Da

Threshold ≤ 500

ALogP

3.33

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C20H16O5

Molecular Weight:

336.3430 Da

SMILES:

CC/C=C/C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O

InChIKey:

                        UUWYGIGMDMVYRG-QPJJXVBHSA-N
                        
                    

InChI:

InChI=1S/C20H16O5/c1-3-4-7-13(21)15-10(2)9-12-17(19(15)24)20(25)16-11(18(12)23)6-5-8-14(16)22/h4-9,22,24H,3H2,1-2H3/b7-4+

Calculated Properties

ALogP:

3.330 lipophilicity

TPSA:

91.67 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.1500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008241

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Polycyclic aromatic polyketides

NPClassifier Class:

Anthraquinones and anthrones

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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