Structure Database (LMSD)

OH OH HO O O
Common Name
Poriol
Systematic Name
Synonyms
LM ID
LMPK12140301
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
SLFZBNOERHGNMI-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3/t13-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudotsuga menziesii (#3357)
Pinopsida (#58019)
New C-methylflavanones from Douglas-fir,
Phytochemistry, 1972
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

Wikipedia
Poriol
CHEBI ID
178319
METABOLOMICS ID
FL2FAANM0001
PubChem CID
92258068

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.82
Molar Refractivity 74.93

Admin

Created at
-
Updated at
30th Jan 2023