Structure Database (LMSD)

O OH OH O
Common Name
4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan
Systematic Name
Synonyms
LM ID
LMPK12020228
Formula
C24H22O4
Exact Mass
Calculate m/z
374.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RDUYMQQGTUMXQZ-FBHACNSLSA-N
InChi (Click to copy)
InChI=1S/C24H22O4/c1-27-21-12-13-22-18(5-2-16-3-8-19(25)9-4-16)14-23(28-24(22)15-21)17-6-10-20(26)11-7-17/h2-13,15,18,23,25-26H,14H2,1H3/b5-2+/t18-,23+/m0/s1
SMILES (Click to copy)
C1C2O[C@@H](C3C=CC(O)=CC=3)C[C@H](/C=C/C3C=CC(O)=CC=3)C=2C=CC=1OC

References

Taxonomy Information

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

Other Databases

CHEBI ID
179638
METABOLOMICS ID
FL6F1ANC0001
PubChem CID
44257173

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 350.38
Topological Polar Surface Area 60.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.43
Molar Refractivity 108.97

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Updated at
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