Structure Database (LMSD)

Common Name
Phellodensin F
Systematic Name
Flavaprin
Synonyms
  • 5,7,4'-Trihydroxy-8-C-prenylflavanone 7-glucoside
LM ID
LMPK12140229
Formula
C26H30O10
Exact Mass
Calculate m/z
502.1839
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BMYUIXRQCPBGKG-WTYMVSKMSA-N
InChi (Click to copy)
InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20+,22+,23-,24+,26+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)C2C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=2C=1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FL2FAAGI0002
PubChem CID
21577888

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 453.90
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 3.21
Molar Refractivity 129.11

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Created at
-
Updated at
26th Oct 2021