Structure Database (LMSD)

O O OH
Common Name
Hierridin B
Systematic Name
2,4-dimethoxy-6-pentadecylphenol
Synonyms
LM ID
LMPK15010011
Formula
C23H40O3
Exact Mass
Calculate m/z
364.297745
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Leptolyngbya ectocarpi (#1202)
Hierridin B and 2,4-dimethoxy-6-heptadecyl-phenol, secondary metabolites from the cyanobacterium Phormidium ectocarpi with antiplasmodial activity.,
Phytochemistry, 1998
Pubmed ID: 9887530

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
12th Apr 2023