Structure Database (LMSD)

Common Name
Artoindonesianin T
Systematic Name
5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one
Synonyms
LM ID
LMPK12111536
Formula
C21H18O7
Exact Mass
Calculate m/z
382.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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/
Artocarpus integer (#3490)
Magnoliopsida (#3398)
Artoindonesianins Q–T, four isoprenylated flavones from Artocarpus champeden Spreng. (Moraceae),
Phytochemistry, 2002

String Representations

InChiKey (Click to copy)
PACGEOWZLGJTSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O7/c1-8(2)10-6-11-19(25)17-12(23)4-9(22)5-14(17)28-21(11)18-13(24)7-15(27-3)20(26)16(10)18/h4-5,7,10,22-24,26H,1,6H2,2-3H3
SMILES (Click to copy)
C12C(=O)C3CC(C(C)=C)C4C(O)=C(OC)C=C(O)C=4C=3OC=1C=C(O)C=C2O

Other Databases

CHEBI ID
185706
METABOLOMICS ID
FL3FRNNR0002
PubChem CID
5320451

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 327.49
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.41
Molar Refractivity 102.50

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Created at
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Updated at
14th May 2026