Structure Database (LMSD)

Common Name
Tarenninoside D
Systematic Name
Synonyms
  • 6'-O-(E)-feruloylixoside
LM ID
LMPR0102070047
Formula
C26H28O15
Exact Mass
Calculate m/z
580.142825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tarenna attenuata (#1547788)
Magnoliopsida (#3398)
Iridoid constituents of Tarenna attenuata.,
J Nat Prod, 2006
Pubmed ID: 16792422

String Representations

InChiKey (Click to copy)
RYOLVNBZZZXYCD-WCAFBGMKSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c1-37-16-8-11(2-6-15(16)27)3-7-18(28)38-10-17-19(29)20(30)21(31)24(40-17)41-25-26(36)13(4-5-14(26)23(34)35)12(9-39-25)22(32)33/h2-3,5-9,13,17,19-21,24-25,27,29-31,36H,4,10H2,1H3,(H,32,33)(H,34,35)/b7-3+/t13-,17-,19+,20+,21-,24+,25+,26-/m1/s1
SMILES (Click to copy)
C1(C(=O)O)[C@@]2([H])CC=C(C(O)=O)[C@@]2(O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(/C=C/C3=CC(OC)=C(O)C=C3)=O)O2)OC=1

Other Databases

PubChem CID
171121219

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 4
Aromatic Rings 1
Rotatable Bonds 10
Van der Waals Molecular Volume 506.11
Topological Polar Surface Area 243.11
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 1.16
Molar Refractivity 135.86

Admin

Created at
24th Jul 2020
Updated at
20th Oct 2021