RESCINNAMINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C02AA01
UNII Q6W1F7DJ2D
EPA CompTox DTXSID3023554

Structure

InChI Key SZLZWPPUNLXJEA-QEGASFHISA-N
Smiles COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChI
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H42N2O9
Molecular Weight 634.73
AlogP 4.57
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 117.78
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
Synaptic vesicular amine transporter inhibitor INHIBITOR PubMed Wikipedia

Target Conservation

Protein: Synaptic vesicular amine transporter
Description: Synaptic vesicular amine transporter
Organism : Homo sapiens
Q05940 ENSG00000165646

Related Entries

Cross References

Resources Reference
ChEBI 28572
ChEMBL CHEMBL1668
DrugCentral 2369
FDA SRS Q6W1F7DJ2D
Guide to Pharmacology 7098
KEGG C06540
PharmGKB PA164768818
PubChem 5280954
SureChEMBL SCHEMBL181966
ZINC ZINC000004097185
CONTENTS