Structure Database (LMSD)

Systematic Name
2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone
Synonyms
LM ID
LMPK12120532
Formula
C30H38O6
Exact Mass
Calculate m/z
494.26684
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)
ZCEVYOUGVBIIAG-KEBDBYFISA-N
InChi (Click to copy)
InChI=1S/C30H38O6/c1-18(2)7-6-8-20(5)10-13-23-25(32)17-26(33)28(30(23)36)24(31)14-11-21-15-22(12-9-19(3)4)29(35)27(34)16-21/h7,9-10,15-17,32-36H,6,8,11-14H2,1-5H3/b20-10+
SMILES (Click to copy)
C1(O)C(C/C=C(/CC/C=C(/C)\C)\C)=C(O)C(C(=O)CCC2C=C(O)C(O)=C(C/C=C(\C)/C)C=2)=C(O)C=1

Other Databases

CHEBI ID
186654
METABOLOMICS ID
FL1DACNI0002
PubChem CID
42607703

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 2
Aromatic Rings 2
Rotatable Bonds 11
Van der Waals Molecular Volume 507.38
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 6.77
Molar Refractivity 143.12

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Updated at
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