Structure Database (LMSD)

Common Name
Artocarpesin
Systematic Name
2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone
Synonyms
LM ID
LMPK12110892
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YWUVFGZTDLJVCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=CC=3)=CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

HMDB ID
HMDB0030848
CHEBI ID
175537
METABOLOMICS ID
FL3FALNI0003
PubChem CID
399491

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 313.76
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.69
Molar Refractivity 97.82

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Updated at
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