Structure Database (LMSD)

Common Name
Paraibanol
Systematic Name
3R,5,7,3',6'-Pentahydroxy-6-methoxy-8-prenylflavanone
Synonyms
LM ID
LMPK12140725
Formula
C21H22O8
Exact Mass
Calculate m/z
402.13147
Status
Curated
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/
Macropsychanthus grandiflorus (#3837)
Magnoliopsida (#3398)
Flavonoids from the root-bark of Dioclea grandiflora,
Phytochemistry, 1999

String Representations

InChiKey (Click to copy)
VEBIVOSWNKMMPH-AZUAARDMSA-N
InChi (Click to copy)
InChI=1S/C21H22O8/c1-9(2)4-6-11-15(24)21(28-3)17(26)14-16(25)18(27)20(29-19(11)14)12-8-10(22)5-7-13(12)23/h4-5,7-8,18,20,22-24,26-27H,6H2,1-3H3/t18-,20+/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(O)C=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1OC

Other Databases

PubChem CID
15895374

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 362.18
Topological Polar Surface Area 138.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.99
Molar Refractivity 103.45

Admin

Created at
20th Oct 2026
Updated at
20th Oct 2026