Structure Database (LMSD)

OH O O O O O
Common Name
Lonchocarpenin
Systematic Name
Synonyms
LM ID
LMPK12160024
Formula
C27H28O6
Exact Mass
Calculate m/z
448.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
CCYKXDPVYWRNMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C(OC)=C1C(O)=C(C3C=CC(OC)=CC=3)C(=O)OC1=C2C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

KEGG ID
C10491
CHEBI ID
6521
METABOLOMICS ID
FLIHBBNI0001
PubChem CID
54699185

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 430.76
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 6.03
Molar Refractivity 128.45

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Created at
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Updated at
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