Structure Database (LMSD)

Common Name
Dysokusone E
Systematic Name
Synonyms
LM ID
LMPR0104450004
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Prenyleudesmane, prenylgermacrane and prenylbicyclogermacrane diterpenoids [PR010445]

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

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

Other Databases

PubChem CID
171120120

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

Admin

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