RESOLVIN E1

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GND3JH08JA

Structure
InChI Key AOPOCGPBAIARAV-OTBJXLELSA-N
Smile CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChI
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30O5
Molecular Weight 350.46
AlogP 2.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 97.99
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Cross References

Resources Reference
ChEBI 81559
ChEMBL CHEMBL1742483
DrugBank DB13105
FDA SRS GND3JH08JA
Guide to Pharmacology 3333
KEGG C18171
SureChEMBL SCHEMBL3321593
ZINC ZINC000056875015
CONTENTS