Structure Database (LMSD)

Common Name
5-((Z)-henicos-8-en-1-yl)resorcinol
Systematic Name
(Z)-5-(henicos-8-en-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030035
Status
Active
Exact Mass
Calculate m/z
402.34978
Formula
C27H46O2
Show lipids differing only in stereochemistry/bond geometry
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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)
HODPEVWNOVKINH-YPKPFQOOSA-N
InChi (Click to copy)
1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h13-14,22-24,28-29H,2-12,15-21H2,1H3/b14-13-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\CCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID
126457712

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 459.42
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.85
Molar Refractivity 126.78

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Updated at
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