LIPID MAPS

Structure Database (LMSD)

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Common Name

Tomenphantin A

Systematic Name

Synonyms

LM ID

LMPR0103090014

Formula

C₁₉H₂₄O₆

Exact Mass

Calculate m/z

348.15729

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

AFQQBXILQNQSCA-HLEMRYDMSA-N

InChi (Click to copy)

InChI=1S/C19H24O6/c1-10(2)17(21)23-13-8-12(9-20)6-5-7-19(4)16(25-19)15-14(13)11(3)18(22)24-15/h6,13-16,20H,1,3,5,7-9H2,2,4H3/b12-6+/t13-,14+,15-,16-,19+/m0/s1

SMILES (Click to copy)

[C@@H]12O[C@]1(C)CCC=C(CO)C[C@H](OC(=O)C(=C)C)[C@H]1C(C(=O)O[C@H]21)=C

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

Other Databases

PubChem CID

156017709

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 3

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 339.72

Topological Polar Surface Area 87.43

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 6

logP 3.26

Molar Refractivity 92.04

Admin

Created at

5th Jun 2020

Updated at