Structure Database (LMSD)

Common Name
Dalbergichromene
Systematic Name
6-Hydroxy-7-methoxyneoflavene
Synonyms
LM ID
LMPK12100078
Formula
C16H14O3
Exact Mass
Calculate m/z
254.094295
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Neoflavonoids [PK1210]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WZIKSEWGSSYQHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O3/c1-18-16-10-15-13(9-14(16)17)12(7-8-19-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3
SMILES (Click to copy)
C1(OC)C(O)=CC2C(=CCOC=2C=1)C1C=CC=CC=1

Other Databases

Wikipedia
Dalbergichromene
METABOLOMICS ID
FLNE29NS0001
PubChem CID
5316291

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 234.37
Topological Polar Surface Area 40.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.51
Molar Refractivity 74.16

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Updated at
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