SCS-C007903

talaminioside A

Pathway: Polyketides Superclass: Chromanes Class: Chromones Glycoside

Chemical Structure

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Source Information

Talaromyces minioluteus CS-113 (NA)

Original source name: Talaromyces minioluteus CS-113 | T. minioluteus

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Trichocomaceae Genus Talaromyces Species Talaromyces minioluteus

South China Sea · deep-sea

DOI: 10.1039/d3ob00058c · Organic & Biomolecular Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

398.4 Da

Threshold ≤ 500

ALogP

-0.70

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C18H22O10

Molecular Weight:

398.3640 Da

SMILES:

COc1cc(O)c2c(=O)c(C)c(C)oc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChIKey:

                        SYQFKVRLHDKBBP-MLTZOPNTSA-N
                        
                    

InChI:

InChI=1S/C18H22O10/c1-6-7(2)26-17-11(12(6)21)8(20)4-9(25-3)16(17)28-18-15(24)14(23)13(22)10(5-19)27-18/h4,10,13-15,18-20,22-24H,5H2,1-3H3/t10-,13-,14+,15-,18+/m1/s1

Calculated Properties

ALogP:

-0.697 lipophilicity

TPSA:

159.05 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.5000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007903

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Chromones

Glycoside:

Yes

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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