Structure Database (LMSD)

Common Name
Lonchocarpic acid
Systematic Name
Synonyms
  • Chandanin
LM ID
LMPK12160023
Formula
C26H26O6
Exact Mass
Calculate m/z
434.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QKTFIWUHGFCLHF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(25(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C(O)=C(C3=CC=C(O)C=C3)C(=O)OC=1C=2C/C=C(/C)\C

Other Databases

CHEBI ID
109550
METABOLOMICS ID
FLIHBANP0002
PubChem CID
54683839

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 402.56
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.76
Molar Refractivity 125.30

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Updated at
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