Structure Database (LMSD)

Common Name
5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)resorcinol
Systematic Name
5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030021
Status
Active
Exact Mass
Calculate m/z
316.24023
Formula
C21H32O2
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
UFMJCOLGRWKUKO-UTOQUPLUSA-N
InChi (Click to copy)
1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\C/C=C\CCC)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991

Other Databases

HMDB ID
HMDB0038534
PubChem CID
11702450
Cayman ID
23373

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 352.98
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.28
Molar Refractivity 98.98

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Updated at
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