Structure Database (LMSD)

O O O NH O O H
Common Name
Proversilin C
Systematic Name
Synonyms
LM ID
LMPR0103370005
Formula
C26H33NO5
Exact Mass
Calculate m/z
439.235874
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)
HNINPXQNFOXVGW-TXDLGXNGSA-N
InChi (Click to copy)
InChI=1S/C26H33NO5/c1-16(28)27-21(17-8-6-5-7-9-17)12-23(29)32-18-13-25(2,3)22-11-10-19-20(15-31-24(19)30)26(22,4)14-18/h5-9,18,21-22H,10-15H2,1-4H3,(H,27,28)/t18-,21-,22+,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)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
156580776

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 434.49
Topological Polar Surface Area 83.77
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.83
Molar Refractivity 120.33

Admin

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