Structure Database (LMSD)

Common Name
(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Systematic Name
(Z)-1-(3-hydroxyphenyl)nonadec-9-en-2-one
Synonyms
LM ID
LMPK15010010
Formula
C25H40O2
Exact Mass
Calculate m/z
372.30283
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

String Representations

InChiKey (Click to copy)
GIVJKSRWUFQGDW-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h10-11,17-18,20,22,27H,2-9,12-16,19,21H2,1H3/b11-10-
SMILES (Click to copy)
C1C=C(CC(=O)CCCCCC/C=C\CCCCCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
193421
PubChem CID
126457708

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 422.18
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.54
Molar Refractivity 116.27

Admin

Created at
-
Updated at
12th Jul 2023