Structure Database (LMSD)

Common Name
Artonin O
Systematic Name
5,6-Dihydro-3,8,10-trihydroxy-2,9-bis(3-methyl-2-butenyl)-5-(1-methylethenyl)-1H-benzo[c]xanthene-1,4,7-trione
Synonyms
LM ID
LMPK12111512
Formula
Exact Mass
Calculate m/z
502.199156
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Artocarpus (#3488)
Magnoliopsida (#3398)
Components of the bark of Artocarpus rigida Bl. 2.1 Structures of four new isoprenylated flavone derivatives artonins M, N, O, and P,
Heterocycles, 1993

String Representations

InChiKey (Click to copy)
RREWBAHJGHVXMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O7/c1-13(2)7-9-16-20(31)12-21-23(25(16)32)27(34)19-11-18(15(5)6)22-24(30(19)37-21)26(33)17(10-8-14(3)4)28(35)29(22)36/h7-8,12,18,31-32,35H,5,9-11H2,1-4,6H3
SMILES (Click to copy)
C12=C(O)C(C/C=C(/C)\C)=C(O)C=C1OC1C3C(=O)C(C/C=C(/C)\C)=C(O)C(=O)C=3C(C(C)=C)CC=1C2=O

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 1
Rotatable Bonds 5
Van der Waals Molecular Volume 497.07
Topological Polar Surface Area 123.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.65
Molar Refractivity 138.55

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Created at
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Updated at
19th Jun 2026