SCS-C007986
rhamnose-rich polysaccharide OG3 from Crassostrea rivularis
Pathway: Alkaloids
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
Crassostrea rivularis
(NA)
Kingdom
Metazoa
Phylum
Mollusca
Class
Bivalvia
Order
Ostreida
Family
Ostreidae
Genus
Magallana
Species
Magallana rivularis
South China Sea
DOI:
10.1002/fsn3.695
· Food Science & Nutrition
Drug-likeness (Lipinski Ro5)
Molecular Weight
155.6 Da
Threshold ≤ 500
ALogP
2.36
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
1
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C8H10ClN
Molecular Weight:
155.6280 Da
SMILES:
C[C@H](N)c1ccc(Cl)cc1
InChIKey:
PINPOEWMCLFRRB-LURJTMIESA-N
InChI:
InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
Calculated Properties
ALogP:
2.360 lipophilicity
TPSA:
26.02 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
1
Rotatable Bonds:
1
Ring Count:
1
(1 aromatic)
Chiral Centers:
1
Fsp³:
0.2500 fraction sp³ carbon
Database Information
Compound ID:
SCS-C007986
NPClassifier Pathway:
Alkaloids
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.