Structure Database (LMSD)

Common Name
Stilbostemin D
Systematic Name
Synonyms
LM ID
LMPK13090047
Status
Active
Exact Mass
Calculate m/z
258.125595
Formula
C16H18O3
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
LLRJCKLNDNKRTF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3
SMILES (Click to copy)
C1(C)C(O)=CC(CCC2=CC=CC=C2OC)=CC=1O

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

Other Databases

PubChem CID
15222503

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 249.37
Topological Polar Surface Area 49.69
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.20
Molar Refractivity 74.91

Admin

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