SCS-C000199

pseuboydone F

Pathway: Terpenoids Superclass: Sesquiterpenoids Class: Aromadendrane sesquiterpenoids

Chemical Structure

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Source Information

Pseudallescheria boydii F44-1 (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Microascales Family Microascaceae Genus Pseudallescheria Species Pseudallescheria boydii

South China Sea

DOI: 10.25135/rnp.152.19.07.1343 · Records of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

250.3 Da

Threshold ≤ 500

ALogP

1.39

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H22O3

Molecular Weight:

250.3380 Da

SMILES:

C[C@@H]1CC[C@H]2[C@@H]([C@@H]3C1=CC(=O)[C@@H]3CO)[C@]2(C)CO

InChIKey:

                        OMWILXASQAYARI-MOJIGAAESA-N
                        
                    

InChI:

InChI=1S/C15H22O3/c1-8-3-4-11-14(15(11,2)7-17)13-9(8)5-12(18)10(13)6-16/h5,8,10-11,13-14,16-17H,3-4,6-7H2,1-2H3/t8-,10+,11+,13-,14+,15-/m1/s1

Calculated Properties

ALogP:

1.395 lipophilicity

TPSA:

57.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.8000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000199

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

Sesquiterpenoids

NPClassifier Class:

Aromadendrane 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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