LIPID MAPS

Structure Database (LMSD)

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Common Name

Commikuanoid A

Systematic Name

21α-methoxy-21,23α-epoxy-cycloart-1,24-diene-3-one

Synonyms

LM ID

LMST01100051

Formula

C₃₁H₄₆O₃

Exact Mass

Calculate m/z

466.344695

Sum Composition

ST 31:5;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

IYMDGDMQHUIHPB-PYTYGRFUSA-N

InChi (Click to copy)

InChI=1S/C31H46O3/c1-19(2)16-20-17-21(26(33-7)34-20)22-10-12-29(6)24-9-8-23-27(3,4)25(32)11-13-30(23)18-31(24,30)15-14-28(22,29)5/h11,13,16,20-24,26H,8-10,12,14-15,17-18H2,1-7H3/t20-,21+,22+,23-,24-,26+,28+,29-,30+,31-/m0/s1

SMILES (Click to copy)

C1=CC(=O)C(C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)CC[C@]([H])([C@@]5([H])C[C@]([H])(/C=C(\C)/C)O[C@H]5OC)[C@@]4(C)CC[C@@]43C[C@]124

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Commiphora kua (#246356)

Magnoliopsida (#3398)

Commikuanoids A-C: New cycloartane triterpenoids with exploration of carbonic anhydrase-II inhibition from the resins of Commiphora kua by in vitro and in silico molecular docking.,
Fitoterapia, 2022

Pubmed ID: 35026306