Structure Database (LMSD)

Common Name
4-Hydroxyglenoblone
Systematic Name
Synonyms
LM ID
LMPK12120598
Formula
C26H30O5
Exact Mass
Calculate m/z
422.209325
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)
AZRJPDMBCLMTSG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O5/c1-16(2)12-15-26(5)23(30)21(20(28)11-8-17-6-9-18(27)10-7-17)22(29)19-13-14-25(3,4)31-24(19)26/h6-7,9-10,12-14,27,29H,8,11,15H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C(O)=C(C(=O)CCC1C=CC(O)=CC=1)C(=O)C2(C/C=C(\C)/C)C

Other Databases

CHEBI ID
140123
METABOLOMICS ID
FL1DQUNP0002
PubChem CID
42607733

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 430.57
Topological Polar Surface Area 85.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.56
Molar Refractivity 120.09

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Updated at
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