Structure Database (LMSD)

Common Name
Lamiol
Systematic Name
Synonyms
LM ID
LMPR0102070065
Formula
Exact Mass
Calculate m/z
378.1526
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lamium amplexicaule (#53160)
Magnoliopsida (#3398)
Iridoids—II : Lamioside from Lamium amplessicaule,
Tetrahedron, 1967

String Representations

InChiKey (Click to copy)
IPTRSKQQZMUJQM-AEKJLLHFSA-N
InChi (Click to copy)
InChI=1S/C16H26O10/c1-6-5-24-14(12-15(2,22)3-8(18)16(6,12)23)26-13-11(21)10(20)9(19)7(4-17)25-13/h5,7-14,17-23H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12-,13+,14+,15+,16-/m1/s1
SMILES (Click to copy)
O[C@@]1(C)C[C@@H](O)[C@]2(O)C(C)=CO[C@@H](O[C@H]3[C@H](O)[C@H]([C@H](O)[C@H](O3)CO)O)[C@@]21[H]

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 333.54
Topological Polar Surface Area 173.44
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP -0.21
Molar Refractivity 88.27

Admin

Created at
7th Mar 2024
Updated at
7th Mar 2024