SCS-C008249

(14R)-galvaquinone H

Pathway: Polyketides Superclass: Polycyclic aromatic polyketides Class: Angucyclines

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

3.22

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@@H]1CC(=O)c2c(C)cc3c(c2O1)C(=O)c1c(O)cccc1C3=O

InChIKey:

                        BKUCIZNSBWGEKZ-SNVBAGLBSA-N
                        
                    

InChI:

InChI=1S/C20H16O5/c1-3-10-8-14(22)15-9(2)7-12-17(20(15)25-10)19(24)16-11(18(12)23)5-4-6-13(16)21/h4-7,10,21H,3,8H2,1-2H3/t10-/m1/s1

Calculated Properties

ALogP:

3.220 lipophilicity

TPSA:

80.67 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

4 (2 aromatic)

Chiral Centers:

Fsp³:

0.2500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008249

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Polycyclic aromatic polyketides

NPClassifier Class:

Angucyclines

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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