LIPID MAPS

Structure Database (LMSD)

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Common Name

Lamiol

Systematic Name

Synonyms

LM ID

LMPR0102070065

Formula

C₁₆H₂₆O₁₀

Exact Mass

Calculate m/z

378.1526

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lamium amplexicaule (#53160)

Magnoliopsida (#3398)

Iridoids—II : Lamioside from Lamium amplessicaule,
Tetrahedron, 1967

DOI: 10.1016/S0040-4020(01)92569-4

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

15560023

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 3

Aromatic Rings

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