LIPID MAPS

Structure Database (LMSD)

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Common Name

Isoonopordopicrin

Systematic Name

Synonyms

LM ID

LMPR0103090015

Formula

C₁₉H₂₄O₆

Exact Mass

Calculate m/z

348.15729

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)

RBLONIARBGLMQX-MNKPYCKDSA-N

InChi (Click to copy)

InChI=1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16(24-18(22)12(2)9-20)17-13(3)19(23)25-15(17)7-11/h6-7,15-17,20-21H,2-5,8-10H2,1H3/b11-7+,14-6+/t15-,16+,17+/m1/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

156015311

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 2

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 349.44

Topological Polar Surface Area 95.13

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 2.74

Molar Refractivity 93.40

Admin

Created at

5th Jun 2020

Updated at