Structure Database (LMSD)

Common Name
Tinosporinone
Systematic Name
Synonyms
LM ID
LMPK12120384
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
YDGCLJLINDCFAM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-11(18(20)12-4-7-15-17(8-12)25-10-24-15)19(21)14-6-5-13(22-2)9-16(14)23-3/h4-9,11H,10H2,1-3H3
SMILES (Click to copy)
C1(OC)=CC=C(C(=O)C(C)C(=O)C2C=CC3OCOC=3C=2)C(OC)=C1

Other Databases

METABOLOMICS ID
FL1CHYNM0003
PubChem CID
42607646

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 310.00
Topological Polar Surface Area 75.20
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.13
Molar Refractivity 89.94

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Updated at
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