LIPID MAPS

Structure Database (LMSD)

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Common Name

Armillaripin

Systematic Name

Synonyms

LM ID

LMPR0103590008

Formula

C₂₄H₃₀O₆

Exact Mass

Calculate m/z

414.20424

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Armillaria mellea (#47429)

Agaricomycetes (#155619)

[Chemical constituents of Armillaria mellea mycelium. VI. Isolation and structure of armillaripin].,
Yao Xue Xue Bao, 1990

Pubmed ID: 2284955

String Representations

InChiKey (Click to copy)

BGKXQRPQNIXIMH-MEVKZITKSA-N

InChi (Click to copy)

InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1

SMILES (Click to copy)

C1(C=O)=C[C@]2(O)CC(C)(C)C[C@]2([H])[C@@]2(C)C[C@@H](OC(=O)C3=C(O)C=C(OC)C=C3C)[C@@]12[H]

Other Databases

PubChem CID

164279

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 4

Aromatic Rings 1

Rotatable Bonds 5

Van der Waals Molecular Volume 400.32

Topological Polar Surface Area 93.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 4.14

Molar Refractivity 111.44

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Created at

12th Nov 2024

Updated at