Structure Database (LMSD)

Common Name
Stilbostemin D
Systematic Name
Synonyms
LM ID
LMPK13090047
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)
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

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