Structure Database (LMSD)

OH OH HO O O
Common Name
Macarangaflavanone A
Systematic Name
5,7,4'-Trihydroxy-3'-geranylflavanone
Synonyms
LM ID
LMPK12140298
Formula
C25H28O5
Exact Mass
Calculate m/z
408.193675
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
BYNSAEDEZFVSHZ-MVLVPLOLSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-15(2)6-4-5-7-16(3)10-18-11-17(8-9-20(18)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h6,8-13,23,26-28H,4-5,7,14H2,1-3H3/b16-10+/t23-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=C(/C=C(/CCC/C=C(/C)\C)\C)C(O)=CC=3)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAANI0024
PubChem CID
42607932

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 402.37
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 6.05
Molar Refractivity 117.13

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Updated at
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