Structure Database (LMSD)

HO O O O O
Common Name
5-O-Methylvisamminol
Systematic Name
Synonyms
LM ID
LMPK13110002
Formula
C16H18O5
Exact Mass
Calculate m/z
290.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Benzopyranoids [PK1311]

String Representations

InChiKey (Click to copy)
DGFLRNOCLJGHLY-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
SMILES (Click to copy)
C12C(=O)C=C(C)OC=1C=C1O[C@H](C(O)(C)C)CC1=C2OC

References

Other Databases

KEGG ID
C09016
CHEBI ID
2110
PubChem CID
441970

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 257.23
Topological Polar Surface Area 70.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.66
Molar Refractivity 79.32

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Created at
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Updated at
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