LIPID MAPS

Structure Database (LMSD)

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Common Name

Dimerostin

Systematic Name

Synonyms

LM ID

LMPR0103090017

Formula

C₁₉H₂₂O₇

Exact Mass

Calculate m/z

362.136555

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dimerostemma (#182992)

Magnoliopsida (#3398)

Cytotoxic Activity of Germacrane-Type Sesquiterpene Lactones from Dimerostemma aspilioides.,
J Nat Prod, 2020

Pubmed ID: 32496057

String Representations

InChiKey (Click to copy)

FBSJJDVUQAMACW-KYJKDSKFSA-N

InChi (Click to copy)

InChI=1S/C19H22O7/c1-10-4-5-15-19(9-21,26-15)7-14(25-17(22)11(2)8-20)16-12(3)18(23)24-13(16)6-10/h6,9,13-16,20H,2-5,7-8H2,1H3/b10-6+/t13-,14+,15?,16+,19+/m1/s1

SMILES (Click to copy)

C1=C(C)CCC2O[C@]2(C=O)C[C@H](OC(=O)C(=C)CO)[C@H]2C(C(=O)O[C@H]12)=C

Other Databases

PubChem CID

156021000

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 3

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 345.87

Topological Polar Surface Area 104.50

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 7

logP 2.44

Molar Refractivity 92.43

Admin

Created at

5th Jun 2020

Updated at