Structure Database (LMSD)

Common Name
Orientanol A
Systematic Name
Synonyms
LM ID
LMPK12070001
Formula
C21H24O8
Exact Mass
Calculate m/z
404.14712
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Erythrina (#3841)
Magnoliopsida (#3398)
A pterocarpan from Erythrina orientalis,
Phytochemistry, 1997

String Representations

InChiKey (Click to copy)
VYSUFMKSPDVDIS-WMQCIHAUSA-N
InChi (Click to copy)
InChI=1S/C21H24O8/c1-19(2,24)17(23)9-12-15(27-3)7-6-14-18(12)29-21(26)13-5-4-11(22)8-16(13)28-10-20(14,21)25/h4-8,17,22-26H,9-10H2,1-3H3/t17-,20+,21-/m0/s1
SMILES (Click to copy)
C1(O)C=C2OC[C@@]3(O)C4C=CC(OC)=C(C[C@H](O)C(O)(C)C)C=4O[C@@]3(O)C2=CC=1

Other Databases

PubChem CID
42607510

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 355.10
Topological Polar Surface Area 132.98
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 1.75
Molar Refractivity 102.54

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Updated at
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