LIPID MAPS

Structure Database (LMSD)

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Common Name

Meliasanine A

Systematic Name

(5R,9R,10R,13S,14S,16S,17S,20S)-3,6-dione-16-hydroxy-tirucalla-7,24-diene

Synonyms

LM ID

LMPR0106090003

Formula

C₃₀H₄₆O₃

Exact Mass

Calculate m/z

454.344695

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BRSGKOMBROMDAC-NNNHFFOLSA-N

InChi (Click to copy)

InChI=1S/C30H46O3/c1-18(2)10-9-11-19(3)25-23(32)17-30(8)21-16-22(31)26-27(4,5)24(33)13-14-28(26,6)20(21)12-15-29(25,30)7/h10,16,19-20,23,25-26,32H,9,11-15,17H2,1-8H3/t19-,20-,23-,25+,26-,28+,29-,30+/m0/s1

SMILES (Click to copy)

C1C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]([H])([C@@]([H])(C)CC/C=C(\C)/C)[C@@H](O)C[C@]4(C)C3=CC(=O)[C@@]2([H])C(C)(C)C1=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Melia azedarach var. toosendan (#71608)

Magnoliopsida (#3398)

Meliasanines A-L, tirucallane-type triterpenoids from Melia toosendan with anti-inflammatory properties via NF-κB signaling pathway.,
Phytochemistry, 2024

Pubmed ID: 38901624