Structure Database (LMSD)

OH HO OH
Common Name
5-(2R-hydroxy-tridecyl)resorcinol
Systematic Name
5-(2R-hydroxy-tridecyl)-benzene-1-3-diol
Synonyms
LM ID
LMPK15030043
Formula
C19H32O3
Exact Mass
Calculate m/z
308.235145
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
YXRFSHKHPSTTQE-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-10-11-17(20)12-16-13-18(21)15-19(22)14-16/h13-15,17,20-22H,2-12H2,1H3/t17-/m1/s1
SMILES (Click to copy)
C1(O)C=C(C[C@H](O)CCCCCCCCCCC)C=C(O)C=1

References

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
102163924

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 332.45
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 5.21
Molar Refractivity 91.84

Admin

Created at
12th May 2020
Updated at
2nd Feb 2021