Structure Database (LMSD)

Common Name
5-(2R-hydroxy-pentadecyl)resorcinol
Systematic Name
5-(2R-hydroxy-pentadecyl)-benzene-1-3-diol
Synonyms
LM ID
LMPK15030042
Status
Active
Exact Mass
Calculate m/z
336.266445
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
IYXFMXYFVCIIAN-LJQANCHMSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,19,22-24H,2-14H2,1H3/t19-/m1/s1
SMILES (Click to copy)
C1(O)C=C(C[C@H](O)CCCCCCCCCCCCC)C=C(O)C=1

References

Reference
Cytotoxic Alkyl Benzoquinones and Alkyl Phenols From Ardisia Virens
Phytochemistry 2009
DOI: 10.1016/j.phytochem.2009.09.006
PMID: 19833361

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ardisia virens (#1073920)
Magnoliopsida (#3398)
Cytotoxic alkyl benzoquinones and alkyl phenols from Ardisia virens.,
Phytochemistry, 2009
Pubmed ID: 19833361

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 367.05
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 5.99
Molar Refractivity 101.07

Admin

Created at
12th May 2020
Updated at
12th May 2020