LIPID MAPS

Structure Database (LMSD)

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Common Name

Proversilin A

Systematic Name

Synonyms

LM ID

LMPR0103370003

Formula

C₁₅H₂₂O₃

Exact Mass

Calculate m/z

250.156895

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)

HKSUEWCITJADGL-NWANDNLSSA-N

InChi (Click to copy)

InChI=1S/C15H22O3/c1-14(9-16)6-3-7-15(2)11-8-18-13(17)10(11)4-5-12(14)15/h12,16H,3-9H2,1-2H3/t12-,14+,15+/m0/s1

SMILES (Click to copy)

C1C[C@]2(C)C3COC(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1

Other Databases

PubChem CID

57509385

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 3

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 252.07

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 3.01

Molar Refractivity 68.84

Admin

Created at

7th Jul 2020

Updated at