SCS-C004734

pteridic acid G

Pathway: Polyketides Superclass: Linear polyketides Class: Open-chain polyketides

Chemical Structure

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Download: SDF SMILES

Source Information

Streptomyces sp. (bacterium)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species NA

South China Sea

DOI: 10.1038/ja.2017.105 · The Journal of Antibiotics

Drug-likeness (Lipinski Ro5)

Molecular Weight

396.5 Da

Threshold ≤ 500

ALogP

2.83

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C22H36O6

Molecular Weight:

396.5240 Da

SMILES:

CC[C@H]1[C@H](O)C[C@@]2(O[C@@H]([C@@H](C)/C=C/C=C/C(=O)OC)[C@@H](C)[C@@H](O)[C@@H]2C)O[C@@H]1C

InChIKey:

                        MSFATTXTDHLTMG-DMTWHGMHSA-N
                        
                    

InChI:

InChI=1S/C22H36O6/c1-7-17-16(5)27-22(12-18(17)23)15(4)20(25)14(3)21(28-22)13(2)10-8-9-11-19(24)26-6/h8-11,13-18,20-21,23,25H,7,12H2,1-6H3/b10-8+,11-9+/t13-,14-,15-,16+,17+,18+,20+,21-,22-/m0/s1

Calculated Properties

ALogP:

2.832 lipophilicity

TPSA:

85.22 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.7727 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004734

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Linear polyketides

NPClassifier Class:

Open-chain polyketides

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD28531

Biological Activity Data

No bioactivity data available for this compound.

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