LIPID MAPS

Structure Database (LMSD)

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Common Name

Colocynthenin F

Systematic Name

Synonyms

LM ID

LMST01010457

Formula

C₃₂H₄₈O₁₀

Exact Mass

Calculate m/z

592.32475

Sum Composition

ST 32:5;O10

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

Trichosanthes cucumeroides (#685054)

Magnoliopsida (#3398)

Lipid-Lowering Activities of Cucurbitacins Isolated from Trichosanthes cucumeroides and Their Synthetic Derivatives.,
J Nat Prod, 2020

Pubmed ID: 33269591

String Representations

InChiKey (Click to copy)

JRWYAESVJOLYCQ-FBZMDERGSA-N

InChi (Click to copy)

InChI=1S/C32H48O10/c1-17(33)42-27(2,3)13-12-22(35)32(9,41)25-20(34)15-29(6)21-11-10-18(28(4,5)26(39)40)19(14-24(37)38)31(21,8)23(36)16-30(25,29)7/h10,19-21,25,34,41H,11-16H2,1-9H3,(H,37,38)(H,39,40)/t19-,20-,21+,25+,29+,30-,31+,32+/m1/s1

SMILES (Click to copy)

[C@@]12(C)C(=O)C[C@]3(C)[C@]([H])([C@H](O)C[C@@]3(C)[C@]1([H])CC=C(C(C)(C)C(=O)O)[C@@]2([H])CC(O)=O)[C@](O)(C)C(=O)CCC(OC(C)=O)(C)C

Other Databases

PubChem CID

162673285

Calculated Physicochemical Properties

Heavy Atoms 42

Rings 3

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 597.14

Topological Polar Surface Area 175.50

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 10

logP 4.81

Molar Refractivity 153.65

Admin

Created at

7th Jan 2021

Updated at