SCS-C005689
(12R,13R)-dihydroxylanomycinol
Pathway: Polyketides
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
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
286.4 Da
Threshold ≤ 500
ALogP
0.64
Threshold ≤ 5
H-Bond Donors
3
Threshold ≤ 5
H-Bond Acceptors
5
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C15H26O5
Molecular Weight:
286.3680 Da
SMILES:
CO[C@@H]1[C@@H](O)[C@H](/C(C)=C/C=C/[C@@H](O)[C@@H](C)O)OC[C@@H]1C
InChIKey:
BDGNGHVEYFKBMY-QWQFJILDSA-N
InChI:
InChI=1S/C15H26O5/c1-9(6-5-7-12(17)11(3)16)15-13(18)14(19-4)10(2)8-20-15/h5-7,10-18H,8H2,1-4H3/b7-5+,9-6+/t10-,11+,12+,13+,14-,15-/m0/s1
Calculated Properties
ALogP:
0.641 lipophilicity
TPSA:
79.15 Ų polar surface area
H-Bond Donors:
3
H-Bond Acceptors:
5
Rotatable Bonds:
5
Ring Count:
1
(0 aromatic)
Chiral Centers:
6
Fsp³:
0.7333 fraction sp³ carbon
Database Information
Compound ID:
SCS-C005689
NPClassifier Pathway:
Polyketides
NPClassifier Superclass:
N/A
NPClassifier Class:
N/A
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.