RESCINNAMINE


Trade Names	CINNASIL MODERIL
Synonyms	Apoterin s Cartric Cinnaloid Cinnasil Moderil NSC-15628 Rescinnamine Rescisan Resealoid Reserpinine Scinnamina Tsuruselpi s
Status
Molecule Category	UNKNOWN
ATC	C02AA01
UNII	Q6W1F7DJ2D
EPA CompTox	DTXSID3023554


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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


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

Related Entries

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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


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).