Structure Database (LMSD)

Common Name
Dysokusone D
Systematic Name
Synonyms
LM ID
LMPR0104450001
Status
Active
Exact Mass
Calculate m/z
300.20893
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IIKVFKAVHHXLRJ-NMNGSKKXSA-N
InChi (Click to copy)
InChI=1S/C20H28O2/c1-13(2)8-17(21)9-14(3)16-6-7-20(5)12-18(22)10-15(4)19(20)11-16/h8-10,16,19H,6-7,11-12H2,1-5H3/b14-9+/t16?,19-,20?/m0/s1
SMILES (Click to copy)
C1(=O)CC2(C)CCC(/C(/C)=C/C(=O)/C=C(\C)/C)C[C@@]2([H])C(C)=C1

References

Reference
J. Nat. Prod. 2000, 63, 1546-1547.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dysoxylum (#155633)
Magnoliopsida (#3398)
Cytotoxic prenyleudesmane diterpenes from the fruits of Dysoxylum kuskusense.,
J Nat Prod, 2000
Pubmed ID: 11087605

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 334.22
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.81
Molar Refractivity 90.51

Admin

Created at
-
Updated at
14th Jun 2021