Structure Database (LMSD)

Systematic Name
3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone
Synonyms
LM ID
LMPK12120523
Formula
C30H38O5
Exact Mass
Calculate m/z
478.271925
Status
Curated
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)
WXQUELGXSBNBPD-UFFVCSGVSA-N
InChi (Click to copy)
InChI=1S/C30H38O5/c1-19(2)7-6-8-21(5)10-13-24-16-22(15-23(30(24)35)12-9-20(3)4)11-14-26(32)29-27(33)17-25(31)18-28(29)34/h7,9-10,15-18,31,33-35H,6,8,11-14H2,1-5H3/b21-10+
SMILES (Click to copy)
C1C(C/C=C(/C)\C)=C(O)C(C/C=C(\C)/CC/C=C(\C)/C)=CC=1CCC(=O)C1C(O)=CC(O)=CC=1O

Other Databases

CHEBI ID
169565
METABOLOMICS ID
FL1DAANI0002
PubChem CID
42607698

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 2
Aromatic Rings 2
Rotatable Bonds 11
Van der Waals Molecular Volume 498.59
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 7.07
Molar Refractivity 141.46

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Updated at
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