Structure Database (LMSD)

Common Name
Dysokusone E
Systematic Name
Synonyms
LM ID
LMPR0104450004
Status
Active
Exact Mass
Calculate m/z
302.22458
Formula
C20H30O2
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
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Prenyleudesmane, prenylgermacrane and prenylbicyclogermacrane diterpenoids [PR010445]

String Representations

InChiKey (Click to copy)
BQQIWANTQQHPOM-ODMBRUCFSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-14(7-6-9-19(3,4)22)16-8-10-20(5)13-17(21)11-15(2)18(20)12-16/h6-7,9,11,16,18,22H,8,10,12-13H2,1-5H3/b9-6+,14-7+/t16?,18-,20?/m0/s1
SMILES (Click to copy)
C1(=O)CC2(C)CCC(/C(/C)=C/C=C/C(O)(C)C)C[C@@]2([H])C(C)=C1

References

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

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings
Rotatable Bonds 3
Van der Waals Molecular Volume 336.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.89
Molar Refractivity 92.03

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Created at
14th Jun 2021
Updated at
14th Jun 2021