Structure Database (LMSD)

Common Name
Erycristagallin
Systematic Name
3,9-Dihydroxy-2,10-diprenylpterocarpene
Synonyms
LM ID
LMPK12070146
Formula
C25H26O4
Exact Mass
Calculate m/z
390.18311
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

String Representations

InChiKey (Click to copy)
VNTSSLCFFUCTNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OCC3C4C=CC(O)=C(C/C=C(/C)\C)C=4OC=3C=2C=C1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIDWXNI0001
PubChem CID
10362969

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 370.32
Topological Polar Surface Area 64.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.42
Molar Refractivity 115.58

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Updated at
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