SCS-C007917

minioluteumide B

Pathway: Terpenoids Superclass: Sesquiterpenoids Class: Drimane sesquiterpenoids

Chemical Structure

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Download: SDF SMILES

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

407.5 Da

Threshold ≤ 500

ALogP

2.12

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C22H33NO6

Molecular Weight:

407.5070 Da

SMILES:

CC(=O)N[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2C[C@@H](O)C3=C(COC3=O)[C@@]12C)C(C)C

InChIKey:

                        NYMWPFSBPAKBJW-GZOXUXNESA-N
                        
                    

InChI:

InChI=1S/C22H33NO6/c1-11(2)18(23-12(3)24)20(27)29-16-7-8-21(4,5)15-9-14(25)17-13(22(15,16)6)10-28-19(17)26/h11,14-16,18,25H,7-10H2,1-6H3,(H,23,24)/t14-,15+,16+,18+,22-/m1/s1

Calculated Properties

ALogP:

2.119 lipophilicity

TPSA:

101.93 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.7727 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007917

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesquiterpenoids

NPClassifier Class:

Drimane sesquiterpenoids

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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