Structure Database (LMSD)

HO OH
Common Name
5-((4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaen-1-yl)resorcinol
Systematic Name
5-((4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaen-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030034
Formula
C25H34O2
Exact Mass
Calculate m/z
366.25588
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)
RSALAWVRGTZYEZ-JLNKQSITSA-N
InChi (Click to copy)
InChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h3-4,6-7,9-10,12-13,15-16,20-22,26-27H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C1(O)C=C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1

References

Other Databases

PubChem CID
15719520

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 414.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.17
Molar Refractivity 117.17

Admin

Created at
-
Updated at
-