LIPID MAPS

Structure Database (LMSD)

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Common Name

Artonol A

Systematic Name

11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-2,6,7,8,9,10-hexahydro-1,5-dioxatetraphene-6,10-dione

Synonyms

LM ID

LMPK12113417

Formula

C₂₁H₂₀O₅

Exact Mass

Calculate m/z

352.131075

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Artocarpus altilis (#194251)

Magnoliopsida (#3398)

Artonols A, B, C, D, and E, Five New Isoprenylated Phenols from the Bark of Artocarpus communis Forst,
HETEROCYCLES, 1997

DOI: 10.3987/com-96-7666

String Representations

InChiKey (Click to copy)

XCESLDIMJGQRPW-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3

SMILES (Click to copy)

C1C(C(=C)C)CC2C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC=2C1=O

Other Databases

CHEBI ID

175508

PubChem CID

10736715

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 4

Aromatic Rings 1

Rotatable Bonds 1

Van der Waals Molecular Volume 334.35

Topological Polar Surface Area 76.97

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 4.25

Molar Refractivity 96.89

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Created at

16th Apr 2026

Updated at