Structure Database (LMSD)

Common Name
Orientanol C
Systematic Name
Synonyms
LM ID
LMPK12070003
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
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)
MWXSRUJUWMLCJD-RPBOFIJWSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-14(2)5-6-16-19(26)8-7-17-22(16)31-25(28)18-11-15-9-10-23(3,4)30-20(15)12-21(18)29-13-24(17,25)27/h5,7-12,26-28H,6,13H2,1-4H3/t24-,25+/m1/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C=C1[C@]3(O)OC4C(C/C=C(\C)/C)=C(O)C=CC=4[C@]3(O)COC1=C2

Other Databases

PubChem CID
42607512

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 389.08
Topological Polar Surface Area 94.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.47
Molar Refractivity 116.34

Admin

Created at
-
Updated at
-