Structure Database (LMSD)
Common Name
Moniliferone B
Systematic Name
Synonyms
3D model of Moniliferone B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YTHCLWOOCGCXRD-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h6-7,9-10,12-13,15-16,20-21,27,29-30H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)C1=C(O)C=C(O)C=C1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cystophora monilifera
(#698722)
Phaeophyceae
(#2870)
HPLC-NMR and HPLC-MS investigation of antimicrobial constituents in Cystophora monilifera and Cystophora subfarcinata.,
Phytochemistry, 2015
Phytochemistry, 2015
Pubmed ID:
26093325
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
449.14
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
7.13
Molar Refractivity
124.17
Admin
Created at
14th Sep 2021
Updated at
14th Sep 2021