LIPID MAPS

Structure Database (LMSD)

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Common Name

Wrightiamine A

Systematic Name

Synonyms

LM ID

LMST02030316

Formula

C₂₁H₃₄N₂

Exact Mass

Calculate m/z

314.272198

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Wrightia (#69390)

Magnoliopsida (#3398)

Wrightiamines A and B, two new cytotoxic pregnane alkaloids from Wrightia javanica.,
Chem Pharm Bull (Tokyo), 2003

Pubmed ID: 12808258

String Representations

InChiKey (Click to copy)

OWJXANQNZAVDIW-XLVUHOLYSA-N

InChi (Click to copy)

InChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1

SMILES (Click to copy)

C1C[C@H](N)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@]5([H])[C@@H](N=C[C@]45CC[C@]3([H])[C@@]12C)C

Other Databases

CHEBI ID

66330

PubChem CID

11109831

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 5

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 329.42

Topological Polar Surface Area 38.38

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.00

Molar Refractivity 96.50

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Created at

6th Dec 2023

Updated at