Structure Database (LMSD)

Common Name
Pochonin I
Systematic Name
Synonyms
LM ID
LMPK15030074
Formula
C18H15O5Cl
Exact Mass
Calculate m/z
346.060803
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

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

String Representations

InChiKey (Click to copy)
XQFBITSYAUZTRB-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C18H15ClO5/c1-9-6-10-4-2-3-5-11(10)13(20)7-12-16(18(23)24-9)14(21)8-15(22)17(12)19/h2-5,8-9,21-22H,6-7H2,1H3/t9-/m1/s1
SMILES (Click to copy)
C1(O)=CC(O)=C(Cl)C2CC(=O)C3=CC=CC=C3C[C@H](OC(=O)C1=2)C

Other Databases

PubChem CID
102035231

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds
Van der Waals Molecular Volume 299.12
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.56
Molar Refractivity 88.35

Admin

Created at
7th Jul 2025
Updated at
7th Jul 2025