Structure Database (LMSD)

Common Name
Orientanol B
Systematic Name
Synonyms
LM ID
LMPK12070002
Formula
C21H22O6
Exact Mass
Calculate m/z
370.14164
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)
Two pterocarpans from Erythrina orientalis,
Phytochemistry, 1998

String Representations

InChiKey (Click to copy)
ISOLZQOIKIVKTK-RTWAWAEBSA-N
InChi (Click to copy)
InChI=1S/C21H22O6/c1-12(2)4-5-13-8-16-18(10-17(13)25-3)26-11-20(23)15-7-6-14(22)9-19(15)27-21(16,20)24/h4,6-10,22-24H,5,11H2,1-3H3/t20-,21+/m1/s1
SMILES (Click to copy)
C1(OC)C=C2OC[C@@]3(O)C4C=CC(O)=CC=4O[C@@]3(O)C2=CC=1C/C=C(\C)/C

Other Databases

PubChem CID
42607511

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 334.88
Topological Polar Surface Area 92.52
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.01
Molar Refractivity 98.64

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Updated at
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