Structure Database (LMSD)

Common Name
10-epi-7-F4t-NeuroP
Systematic Name
(S,4Z,8E)-9-((1R,2R,3R,5S)-3,5-dihydroxy-2-((2Z,5Z)-octa-2,5-dien-1-yl)cyclopentyl)-7-hydroxynona-4,8-dienoic acid
Synonyms
  • (7S,11S,13R)-7-F4-NeuroP[10R,14R]
LM ID
LMFA04010040
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
378.240625
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HLOKCEDYFAXGRQ-NJSZVPKPSA-N
InChi (Click to copy)
1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19+,20+,21-/m0/s1
SMILES (Click to copy)
C(CC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\C/C=C\CC)(=O)O

References

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

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Created at
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Updated at
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