LIPID MAPS

Structure Database (LMSD)

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Common Name

Hierridin B

Systematic Name

2,4-dimethoxy-6-pentadecylphenol

Synonyms

LM ID

LMPK15010011

Formula

C₂₃H₄₀O₃

Exact Mass

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364.297745

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Leptolyngbya ectocarpi (#1202)

Cyanophyceae (#3028117)

Hierridin B and 2,4-dimethoxy-6-heptadecyl-phenol, secondary metabolites from the cyanobacterium Phormidium ectocarpi with antiplasmodial activity.,
Phytochemistry, 1998

Pubmed ID: 9887530

String Representations

InChiKey (Click to copy)

VNEAIGHVYDWTTQ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3

SMILES (Click to copy)

C1(O)=C(OC)C=C(OC)C=C1CCCCCCCCCCCCCCC

Other Databases

PubChem CID

10021709

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 16

Van der Waals Molecular Volume 401.65

Topological Polar Surface Area 38.69

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 7.04

Molar Refractivity 110.61

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Created at

12th Apr 2023

Updated at