Structure Database (LMSD)

Common Name
Stilbostemin N
Systematic Name
Synonyms
LM ID
LMPK13090048
Formula
C16H18O3
Exact Mass
Calculate m/z
258.125595
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stemona tuberosa (#167572)
Magnoliopsida (#3398)
Stilbenoids from the roots of Stemona tuberosa.,
Nat Prod Res, 2020
Pubmed ID: 32713205

String Representations

InChiKey (Click to copy)
CTQWBUQUEQSOJO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H18O3/c1-18-15-10-12(9-14(17)11-15)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-11,17H,7-8H2,1-2H3
SMILES (Click to copy)
C1C(OC)=CC(CCC2=CC=CC=C2OC)=CC=1O

Other Databases

PubChem CID
23630996

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 249.37
Topological Polar Surface Area 38.69
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.19
Molar Refractivity 75.06

Admin

Created at
27th Jul 2020
Updated at
27th Jul 2020