Structure Database (LMSD)

OH HO O O
Common Name
Erythrabyssin II
Systematic Name
3,9-Dihydroxy-2,10-diprenylpterocarpan
Synonyms
LM ID
LMPK12070019
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
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)
LDKAMVCGTURXMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/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/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=CC2C3OC4=C(C/C=C(/C)\C)C(O)=CC=C4C3COC=2C=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0034003
CHEBI ID
175138
METABOLOMICS ID
FLID1ANI0009
PubChem CID
5086400

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 383.86
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.01
Molar Refractivity 114.58

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Updated at
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