Structure Database (LMSD)

Common Name
Apigeniflavan
Systematic Name
5,7,4'-Trihydroxyflavan
Synonyms
LM ID
LMPK12020262
Formula
C15H14O4
Exact Mass
Calculate m/z
258.08921
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Faramea guianensis (#2662159)
Magnoliopsida (#3398)
Isolation of flavins from the Amazonian shrub Faramea guianesis.,
J Nat Prod, 1994
Pubmed ID: 8201315

String Representations

InChiKey (Click to copy)
MDDPZOZWEZNMTK-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-4,7-8,14,16-18H,5-6H2/t14-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)CCC=2C(O)=C1

Other Databases

CHEBI ID
186643
METABOLOMICS ID
FL6FAANS0001
PubChem CID
44257189

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 228.50
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.87
Molar Refractivity 69.57

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Created at
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Updated at
29th Apr 2025