LIPID MAPS

Structure Database (LMSD)

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Common Name

Pochonin J

Systematic Name

Synonyms

LM ID

LMPK15030075

Formula

C₁₈H₂₂O₇

Exact Mass

Calculate m/z

350.136555

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Pochonia chlamydosporia (#280754)

Sordariomycetes (#147550)

The search for a hair-growth stimulant: new radicicol analogues as WNT-5A expression inhibitorsPochonia chlamydosporia var. chlamydosporia,
Tetrahedron Letts, 2009

DOI: 10.1016/j.tetlet.2008.10.099

String Representations

InChiKey (Click to copy)

IZYRYRLSUIPQLP-OLUKKTBOSA-N

InChi (Click to copy)

InChI=1S/C18H22O7/c1-9-4-16-14(21)3-2-13(25-16)7-11(19)5-10-6-12(20)8-15(22)17(10)18(23)24-9/h6,8-9,13-14,16,20-22H,2-5,7H2,1H3/t9-,13-,14-,16+/m1/s1

SMILES (Click to copy)

C1(O)=CC(O)=CC2CC(C[C@]3([H])O[C@@]([H])(C[C@H](OC(=O)C1=2)C)[C@H](O)CC3)=O

Other Databases

PubChem CID

102035232

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 3

Aromatic Rings 1

Rotatable Bonds

Van der Waals Molecular Volume 320.31

Topological Polar Surface Area 117.43

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 2.60

Molar Refractivity 88.54

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Created at

7th Jul 2025

Updated at