LIPID MAPS

Structure Database (LMSD)

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Common Name

Hericene C

Systematic Name

4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl octadecanoate

Synonyms

Octadecanoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2 formyl-3-hydroxy-5-methoxyphenyl]methyl ester

LM ID

LMPK15030082

Formula

C₃₇H₆₀O₅

Exact Mass

Calculate m/z

584.444076

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hericium erinaceus (#91752)

Agaricomycetes (#155619)

Secondary Mold Metabolites: Part 46. Hericenes A-C and Erinapyrone C, New Metabolites Produced by the Fungus Hericium erinaceus,
J Nat Prod, 1994

DOI: 10.1021/np50107a006

String Representations

InChiKey (Click to copy)

MUPDKCFZUFURPT-QCKNELIISA-N

InChi (Click to copy)

InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+

SMILES (Click to copy)

C1(O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(OC)C=C(COC(=O)CCCCCCCCCCCCCCCCC)C=1C=O

Other Databases

CHEBI ID

192329

PubChem CID

92035057

Calculated Physicochemical Properties

Heavy Atoms 42

Rings 1

Aromatic Rings 1

Rotatable Bonds 26

Van der Waals Molecular Volume 650.87

Topological Polar Surface Area 72.83

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 10.75

Molar Refractivity 175.51

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Created at

26th Jun 2026

Updated at