Structure Database (LMSD)
Common Name
ent-10-epi-4-Ft-NeuroP
Systematic Name
(S,4Z,7Z,11E)-12-((1R,2S,3S,5R)-3,5-dihydroxy-2-((Z)-pent-2-en-1-yl)cyclopentyl)-10-hydroxydodeca-4,7,11-trienoic acid
Synonyms
- (10S,14R,16S)-10-F4-NeuroP[13R,17S]
LM ID
LMFA04010051
Formula
Exact Mass
Calculate m/z
378.240625
Sum Composition
Status
Active (generated by computational methods)
3D model of ent-10-epi-4-Ft-NeuroP
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
JXCVDPPSQVTMJG-DDQGMXLYSA-N
InChi (Click to copy)
InChI=1S/C22H34O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-21,23-25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+/t17-,18-,19+,20-,21+/m0/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
407.55
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.23
Molar Refractivity
108.73
Admin
Created at
-
Updated at
-