Structure Database (LMSD)

OH OH HO O O
Common Name
Paratocarpin L
Systematic Name
5,7,4'-Trihydroxy-6,3'-diprenylflavanone
Synonyms
  • Macarangaflavanone B
LM ID
LMPK12140295
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)
WNEAAJKGMLICIY-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-12,22,26-27,29H,7,9,13H2,1-4H3/t22-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=C(C/C=C(/C)\C)C=3)CC(=O)C2=C(O)C=1C/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAANI0021
PubChem CID
14309760

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 402.37
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.53
Molar Refractivity 116.46

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Created at
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Updated at
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