Structure Database (LMSD)

O HO O O
Common Name
Erycristin
Systematic Name
(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan
Synonyms
LM ID
LMPK12070042
Formula
C26H30O4
Exact Mass
Calculate m/z
406.21441
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)
OFTVQUQKDYNGED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O4/c1-15(2)6-8-17-12-20-24(13-22(17)27)29-14-21-18-10-11-23(28-5)19(9-7-16(3)4)25(18)30-26(20)21/h6-7,10-13,21,26-27H,8-9,14H2,1-5H3
SMILES (Click to copy)
C1(O)=CC2OCC3C4C=CC(OC)=C(C/C=C(/C)\C)C=4OC3C=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

CHEBI ID
186157
METABOLOMICS ID
FLID1CNI0003
PubChem CID
13994537

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 401.16
Topological Polar Surface Area 52.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.31
Molar Refractivity 119.47

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Updated at
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