LIPID MAPS

Structure Database (LMSD)

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Systematic Name

4-(3,7-Dimethyl-2,6-octadienyl)-2-formyl-3-hydroxy-5-methoxybenzyl alcohol

Synonyms

LM ID

LMPK15030083

Formula

C₁₉H₂₆O₄

Exact Mass

Calculate m/z

318.18311

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)

TYYYCHNRQXMENM-RIYZIHGNSA-N

InChi (Click to copy)

InChI=1S/C19H26O4/c1-13(2)6-5-7-14(3)8-9-16-18(23-4)10-15(11-20)17(12-21)19(16)22/h6,8,10,12,20,22H,5,7,9,11H2,1-4H3/b14-8+

SMILES (Click to copy)

C1(O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(OC)C=C(CO)C=1C=O

Other Databases

PubChem CID

101450482

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 1

Rotatable Bonds 8

Van der Waals Molecular Volume 333.32

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 3.94

Molar Refractivity 92.10

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Created at

26th Jun 2026

Updated at