Structure Database (LMSD)

O O O NH O O H H O
Common Name
Proversilin E
Systematic Name
Synonyms
LM ID
LMPR0103370006
Formula
C26H31NO6
Exact Mass
Calculate m/z
453.215139
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Drimane sesquiterpenoids [PR010337]

String Representations

InChiKey (Click to copy)
FOXAXXSSZVCTNS-TWGVXTRVSA-N
InChi (Click to copy)
InChI=1S/C26H31NO6/c1-16(29)27-21(17-7-5-4-6-8-17)11-23(30)33-18-12-25(2,15-28)22-10-9-19-20(14-32-24(19)31)26(22,3)13-18/h4-8,15,18,21-22H,9-14H2,1-3H3,(H,27,29)/t18-,21-,22+,25-,26-/m1/s1
SMILES (Click to copy)
[C@H]1(OC(=O)C[C@@H](NC(=O)C)C2=CC=CC=C2)C[C@]2(C)C3COC(=O)C=3CC[C@@]2([H])[C@@](C)(C([H])=O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus versicolor (#46472)
Eurotiomycetes (#147545)
Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic Aspergillus versicolor.,
J Nat Prod, 2020
Pubmed ID: 32628478

Other Databases

PubChem CID
156580778

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 1
Rotatable Bonds 7
Van der Waals Molecular Volume 440.64
Topological Polar Surface Area 100.84
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.01
Molar Refractivity 120.72

Admin

Created at
7th Jul 2020
Updated at
7th Jul 2020