Structure Database (LMSD)

Common Name
Dysokusone D
Systematic Name
Synonyms
LM ID
LMPR0104450001
Formula
C20H28O2
Exact Mass
Calculate m/z
300.20893
Status
Curated
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)
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

Other Databases

PubChem CID
42608259

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