SCS-C005654

lanomycin

Pathway: Polyketides

Chemical Structure

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Source Information

Westerdykella dispersa (NA)

Kingdom Fungi Phylum Ascomycota Class Dothideomycetes Order Pleosporales Family Sporormiaceae Genus Westerdykella Species Westerdykella dispersa

Guangzhou

DOI: 10.1016/j.fitote.2017.08.010 · Fitoterapia

Drug-likeness (Lipinski Ro5)

Molecular Weight

252.4 Da

Threshold ≤ 500

ALogP

2.48

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H24O3

Molecular Weight:

252.3540 Da

SMILES:

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

InChIKey:

                        NJHBZNNZXUXYMD-MKVIASFISA-N
                        
                    

InChI:

InChI=1S/C15H24O3/c1-5-6-7-8-9-11(2)15-13(16)14(17-4)12(3)10-18-15/h5-9,12-16H,10H2,1-4H3/b6-5+,8-7+,11-9+/t12-,13+,14-,15-/m0/s1

Calculated Properties

ALogP:

2.476 lipophilicity

TPSA:

38.69 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.6000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005654

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD29108

Biological Activity Data

No bioactivity data available for this compound.

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